5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

C15H19N7S — CID 31125971

IUPAC5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(NCCCc2scnc2C)nc1-c1ncnn1C
InChIInChI=1S/C15H19N7S/c1-10-7-17-15(21-13(10)14-18-8-20-22(14)3)16-6-4-5-12-11(2)19-9-23-12/h7-9H,4-6H2,1-3H3,(H,16,17,21)
InChIKeyMLWCQOBTWHVXJB-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.39
Rot. Bonds6

About 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 31125971) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID31125971
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(NCCCc2scnc2C)nc1-c1ncnn1C
InChIInChI=1S/C15H19N7S/c1-10-7-17-15(21-13(10)14-18-8-20-22(14)3)16-6-4-5-12-11(2)19-9-23-12/h7-9H,4-6H2,1-3H3,(H,16,17,21)
InChIKeyMLWCQOBTWHVXJB-UHFFFAOYSA-N
XLogP2.39
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 31125971) is 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is Cc1cnc(NCCCc2scnc2C)nc1-c1ncnn1C.
What is the InChIKey of 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is MLWCQOBTWHVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-10-7-17-15(21-13(10)14-18-8-20-22(14)3)16-6-4-5-12-11(2)19-9-23-12/h7-9H,4-6H2,1-3H3,(H,16,17,21).
What are the key properties of 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 329.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 31125971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).