1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine

C12H15N5 — CID 115531275

IUPAC1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1nccc(-c2nccc(CC(C)N)n2)n1
InChIInChI=1S/C12H15N5/c1-8(13)7-10-3-5-15-12(17-10)11-4-6-14-9(2)16-11/h3-6,8H,7,13H2,1-2H3
InChIKeyCJHQLYIKJNXVTJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.13
Rot. Bonds3

About 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine

1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine (PubChem CID 115531275) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
PubChem CID115531275
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1nccc(-c2nccc(CC(C)N)n2)n1
InChIInChI=1S/C12H15N5/c1-8(13)7-10-3-5-15-12(17-10)11-4-6-14-9(2)16-11/h3-6,8H,7,13H2,1-2H3
InChIKeyCJHQLYIKJNXVTJ-UHFFFAOYSA-N
XLogP1.13
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 115531276
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
CID 62744339
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
CID 113337356
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403
1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
CID 63987310
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine (CID 115531275) is 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine is Cc1nccc(-c2nccc(CC(C)N)n2)n1.
What is the InChIKey of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is CJHQLYIKJNXVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(13)7-10-3-5-15-12(17-10)11-4-6-14-9(2)16-11/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine?
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 115531275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).