4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine

C10H14N6 — CID 142672977

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2nncn2C)n1
InChIInChI=1S/C10H14N6/c1-7(2)13-10-11-5-4-8(14-10)9-15-12-6-16(9)3/h4-7H,1-3H3,(H,11,13,14)
InChIKeyPZVXFPHGRDUPIM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.09
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine

4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 142672977) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID142672977
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2nncn2C)n1
InChIInChI=1S/C10H14N6/c1-7(2)13-10-11-5-4-8(14-10)9-15-12-6-16(9)3/h4-7H,1-3H3,(H,11,13,14)
InChIKeyPZVXFPHGRDUPIM-UHFFFAOYSA-N
XLogP1.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 90465127
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine
CID 59200724
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
2-(4-methyl-1,2,4-triazol-3-yl)pyrazine
CID 15455218
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
CID 107541907
5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane
CID 171527079
4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine
CID 122619901
N-[1-(4-chlorophenyl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46983876
6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665877
4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088111

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine (CID 142672977) is 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2nncn2C)n1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is PZVXFPHGRDUPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7(2)13-10-11-5-4-8(14-10)9-15-12-6-16(9)3/h4-7H,1-3H3,(H,11,13,14).
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine?
4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 142672977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).