2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

C12H17N5 — CID 114197836

IUPAC2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-c2ccnn2C(C)C)n1
InChIInChI=1S/C12H17N5/c1-7(2)17-10(5-6-14-17)11-8(3)12(13)16-9(4)15-11/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyRSAHOAJVXINYLO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds2

About 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114197836) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114197836
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-c2ccnn2C(C)C)n1
InChIInChI=1S/C12H17N5/c1-7(2)17-10(5-6-14-17)11-8(3)12(13)16-9(4)15-11/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyRSAHOAJVXINYLO-UHFFFAOYSA-N
XLogP2.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,5-trimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114197828
4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine
CID 129245715
4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69095779
2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 125012000
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
CID 124989938
2-methyl-4-[(2R)-1-methylpiperidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124994880
2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 79991553
5-methylsulfanyl-1-propan-2-ylpyrazole
CID 155374764
5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114197839
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (CID 114197836) is 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is Cc1nc(N)c(C)c(-c2ccnn2C(C)C)n1.
What is the InChIKey of 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is RSAHOAJVXINYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-7(2)17-10(5-6-14-17)11-8(3)12(13)16-9(4)15-11/h5-7H,1-4H3,(H2,13,15,16).
What are the key properties of 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114197836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).