N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

C11H16N6 — CID 61239786

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2nncn2C)ncn1
InChIInChI=1S/C11H16N6/c1-8(2)9-4-10(14-6-13-9)12-5-11-16-15-7-17(11)3/h4,6-8H,5H2,1-3H3,(H,12,13,14)
InChIKeyJMMUCGCXELRFSM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.34
Rot. Bonds4

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61239786) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61239786
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2nncn2C)ncn1
InChIInChI=1S/C11H16N6/c1-8(2)9-4-10(14-6-13-9)12-5-11-16-15-7-17(11)3/h4,6-8H,5H2,1-3H3,(H,12,13,14)
InChIKeyJMMUCGCXELRFSM-UHFFFAOYSA-N
XLogP1.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
CID 62117304
4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957442
N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 64531496
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 61239786) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCc2nncn2C)ncn1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is JMMUCGCXELRFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8(2)9-4-10(14-6-13-9)12-5-11-16-15-7-17(11)3/h4,6-8H,5H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61239786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).