6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine

C11H15N5 — CID 80951955

IUPAC6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H15N5/c1-7(2)11-14-9(4-10(12)15-11)8-5-13-16(3)6-8/h4-7H,1-3H3,(H2,12,14,15)
InChIKeyKLQLVNBALPYJRA-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.58
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine

6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951955) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951955
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H15N5/c1-7(2)11-14-9(4-10(12)15-11)8-5-13-16(3)6-8/h4-7H,1-3H3,(H2,12,14,15)
InChIKeyKLQLVNBALPYJRA-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-propan-2-yl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80952767
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
2-(3-methylcyclopentyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715595
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 106715564
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80951955) is 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KLQLVNBALPYJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7(2)11-14-9(4-10(12)15-11)8-5-13-16(3)6-8/h4-7H,1-3H3,(H2,12,14,15).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).