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

C18H17N7S — CID 30853012

IUPAC5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cnc(-c3ccccc3)s2)nc1-c1ncnn1C
InChIInChI=1S/C18H17N7S/c1-12-8-20-18(24-15(12)16-22-11-23-25(16)2)21-10-14-9-19-17(26-14)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,20,21,24)
InChIKeyMDMROAOHHPEEPI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.32
Rot. Bonds5

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

5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 30853012) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID30853012
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cnc(-c3ccccc3)s2)nc1-c1ncnn1C
InChIInChI=1S/C18H17N7S/c1-12-8-20-18(24-15(12)16-22-11-23-25(16)2)21-10-14-9-19-17(26-14)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,20,21,24)
InChIKeyMDMROAOHHPEEPI-UHFFFAOYSA-N
XLogP3.32
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (CID 30853012) is 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is Cc1cnc(NCc2cnc(-c3ccccc3)s2)nc1-c1ncnn1C.
What is the InChIKey of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is MDMROAOHHPEEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c1-12-8-20-18(24-15(12)16-22-11-23-25(16)2)21-10-14-9-19-17(26-14)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,20,21,24).
What are the key properties of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 30853012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).