1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine

C12H17N5 — CID 65197588

IUPAC1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(-c2cnn(C)c2)n1
InChIInChI=1S/C12H17N5/c1-8(13)4-11-5-9(2)15-12(16-11)10-6-14-17(3)7-10/h5-8H,4,13H2,1-3H3
InChIKeyXMVCICUKZUIYNX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.08
Rot. Bonds3

About 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine

1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine (PubChem CID 65197588) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine
PubChem CID65197588
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(-c2cnn(C)c2)n1
InChIInChI=1S/C12H17N5/c1-8(13)4-11-5-9(2)15-12(16-11)10-6-14-17(3)7-10/h5-8H,4,13H2,1-3H3
InChIKeyXMVCICUKZUIYNX-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702
4-(1-(2-(1H-pyrazol-4-yl)ethyl)piperidin-3-yl)-N-cyclopropylpyrimidin-2-amine
CID 44591316
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
CID 46942530
N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 56718034
(1R*,3R*)-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine
CID 56915928
trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558359
trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146558380
3-(1,1-Dimethylethyl)-1-(2-pyrimidinyl)-1H-pyrazol-5-amine
CID 43531915
1-[5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]ethan-1-amine
CID 5200441
N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44824431

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine (CID 65197588) is 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine is Cc1cc(CC(C)N)nc(-c2cnn(C)c2)n1.
What is the InChIKey of 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is XMVCICUKZUIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8(13)4-11-5-9(2)15-12(16-11)10-6-14-17(3)7-10/h5-8H,4,13H2,1-3H3.
What are the key properties of 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine?
1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 65197588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).