N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine

C13H18N4S — CID 72931229

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCc2nc(C)c(C)s2)n1
InChIInChI=1S/C13H18N4S/c1-9-6-8-15-13(16-9)14-7-4-5-12-17-10(2)11(3)18-12/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyXXEVQNGXWBCMBL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds5

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine (PubChem CID 72931229) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine
PubChem CID72931229
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCc2nc(C)c(C)s2)n1
InChIInChI=1S/C13H18N4S/c1-9-6-8-15-13(16-9)14-7-4-5-12-17-10(2)11(3)18-12/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyXXEVQNGXWBCMBL-UHFFFAOYSA-N
XLogP2.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-Thiazol-2-yl)pyrimidin-2-amine
CID 4131872
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
Ethanamine, N,N-dimethyl-2-((4-(2-thiazolyl)-2-pyrimidinyl)thio)-
CID 452514
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827799
4-(1-aminoethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49795542
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 53576345
4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-thiazole
CID 60393934
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71850493
1-[Cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71990596

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine (CID 72931229) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCCCc2nc(C)c(C)s2)n1.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine?
The InChIKey is XXEVQNGXWBCMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-6-8-15-13(16-9)14-7-4-5-12-17-10(2)11(3)18-12/h6,8H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 72931229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).