(4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride

C32H32Cl2N10O2S2 — CID 159949652

IUPAC(4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride
SMILESCc1cc(C)nc(CN)n1.Cc1cc(C)nc(CNC(=O)c2cnc(-c3cccnc3)s2)n1.O=C(Cl)c1cnc(-c2ccc[nH+]c2)s1.[Cl-]
InChIInChI=1S/C16H15N5OS.C9H5ClN2OS.C7H11N3.ClH/c1-10-6-11(2)21-14(20-10)9-18-15(22)13-8-19-16(23-13)12-4-3-5-17-7-12;10-8(13)7-5-12-9(14-7)6-2-1-3-11-4-6;1-5-3-6(2)10-7(4-8)9-5;/h3-8H,9H2,1-2H3,(H,18,22);1-5H;3H,4,8H2,1-2H3;1H
InChIKeyFMPFRMUKHPZJST-UHFFFAOYSA-N
MW723.72 g/mol
LogP2.10
Rot. Bonds7

About (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride

(4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride (PubChem CID 159949652) has the molecular formula C32H32Cl2N10O2S2 and a molecular weight of 723.72 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride
PubChem CID159949652
Molecular FormulaC32H32Cl2N10O2S2
Molecular Weight723.72 g/mol
Exact Mass722.15
IUPAC Name(4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride
SMILESCc1cc(C)nc(CN)n1.Cc1cc(C)nc(CNC(=O)c2cnc(-c3cccnc3)s2)n1.O=C(Cl)c1cnc(-c2ccc[nH+]c2)s1.[Cl-]
InChIInChI=1S/C16H15N5OS.C9H5ClN2OS.C7H11N3.ClH/c1-10-6-11(2)21-14(20-10)9-18-15(22)13-8-19-16(23-13)12-4-3-5-17-7-12;10-8(13)7-5-12-9(14-7)6-2-1-3-11-4-6;1-5-3-6(2)10-7(4-8)9-5;/h3-8H,9H2,1-2H3,(H,18,22);1-5H;3H,4,8H2,1-2H3;1H
InChIKeyFMPFRMUKHPZJST-UHFFFAOYSA-N
XLogP2.10
TPSA176.56 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.72
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-1,3-thiazol-5-yl]methyl]-1H-imidazole-5-carboxamide
CID 89570596
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56751861
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44544584
N-[(2-methylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 58236139
N-[(2-ethylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 58236176
4-methyl-2-pyridin-3-yl-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide
CID 71679069
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 135335624
N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 155253951
N-methyl-2-[4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 155253954
[amino(pyrimidin-2-yl)methylidene]azanium;(E)-3-(dimethylamino)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one;4-methyl-2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole;hydrochloride
CID 157903874
4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid
CID 158465703
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;piperazine
CID 159541542

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride (CID 159949652) is (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride is Cc1cc(C)nc(CN)n1.Cc1cc(C)nc(CNC(=O)c2cnc(-c3cccnc3)s2)n1.O=C(Cl)c1cnc(-c2ccc[nH+]c2)s1.[Cl-].
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride?
The InChIKey is FMPFRMUKHPZJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS.C9H5ClN2OS.C7H11N3.ClH/c1-10-6-11(2)21-14(20-10)9-18-15(22)13-8-19-16(23-13)12-4-3-5-17-7-12;10-8(13)7-5-12-9(14-7)6-2-1-3-11-4-6;1-5-3-6(2)10-7(4-8)9-5;/h3-8H,9H2,1-2H3,(H,18,22);1-5H;3H,4,8H2,1-2H3;1H.
What are the key properties of (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride?
(4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride has a molecular weight of 723.72 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)methanamine;N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;2-pyridin-1-ium-3-yl-1,3-thiazole-5-carbonyl chloride;chloride is sourced from PubChem (CID 159949652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).