N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine

C11H16N6 — CID 112744148

IUPACN-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ncnn2C)c1C(C)C
InChIInChI=1S/C11H16N6/c1-7(2)8-9(11-15-6-16-17(11)4)13-5-14-10(8)12-3/h5-7H,1-4H3,(H,12,13,14)
InChIKeyWDHIPFMBSJVMKU-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine

N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 112744148) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID112744148
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ncnn2C)c1C(C)C
InChIInChI=1S/C11H16N6/c1-7(2)8-9(11-15-6-16-17(11)4)13-5-14-10(8)12-3/h5-7H,1-4H3,(H,12,13,14)
InChIKeyWDHIPFMBSJVMKU-UHFFFAOYSA-N
XLogP1.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041067
6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808626
N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine
CID 81227945
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813471
3-fluoro-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]benzonitrile
CID 66423722
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
4-N-(4-fluoro-3-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80824944
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
CID 107855651

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine (CID 112744148) is N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(-c2ncnn2C)c1C(C)C.
What is the InChIKey of N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is WDHIPFMBSJVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7(2)8-9(11-15-6-16-17(11)4)13-5-14-10(8)12-3/h5-7H,1-4H3,(H,12,13,14).
What are the key properties of N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112744148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).