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

[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methanamine
CID 65197998
1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 62744529
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine
CID 104807260
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 65197799
3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
CID 65197742
1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
CID 82542206
1-[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]propan-2-amine
CID 79088372
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
CID 62746111
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65196341
1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 62797250
1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325190

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).