N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

C14H20N6OS — CID 131918647

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C14H20N6OS/c1-9-11(7-17-14(18-9)20(2)3)12(21)16-6-4-5-10-8-22-13(15)19-10/h7-8H,4-6H2,1-3H3,(H2,15,19)(H,16,21)
InChIKeySKZMQCDSLSTHHN-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.25
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (PubChem CID 131918647) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
PubChem CID131918647
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C14H20N6OS/c1-9-11(7-17-14(18-9)20(2)3)12(21)16-6-4-5-10-8-22-13(15)19-10/h7-8H,4-6H2,1-3H3,(H2,15,19)(H,16,21)
InChIKeySKZMQCDSLSTHHN-UHFFFAOYSA-N
XLogP1.25
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72936455
2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 154884970
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72920355
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
CID 91777823
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 131889869
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 131927854
2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
CID 72866799
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide
CID 72906705
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570205
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (CID 131918647) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NCCCc1csc(N)n1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The InChIKey is SKZMQCDSLSTHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-9-11(7-17-14(18-9)20(2)3)12(21)16-6-4-5-10-8-22-13(15)19-10/h7-8H,4-6H2,1-3H3,(H2,15,19)(H,16,21).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 131918647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).