1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine

C12H15N5 — CID 63987310

IUPAC1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2ccncn2)n1
InChIInChI=1S/C12H15N5/c1-2-9(13)7-10-3-6-15-12(17-10)11-4-5-14-8-16-11/h3-6,8-9H,2,7,13H2,1H3
InChIKeyDWGFLLLZJTZNDK-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.21
Rot. Bonds4

About 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine

1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine (PubChem CID 63987310) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
PubChem CID63987310
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2ccncn2)n1
InChIInChI=1S/C12H15N5/c1-2-9(13)7-10-3-6-15-12(17-10)11-4-5-14-8-16-11/h3-6,8-9H,2,7,13H2,1H3
InChIKeyDWGFLLLZJTZNDK-UHFFFAOYSA-N
XLogP1.21
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.21
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-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 102952915
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
1-[2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]butan-2-amine
CID 65133488
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
(6-ethyl-2-pyrimidin-4-ylpyrimidin-4-yl)hydrazine
CID 63988501
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
CID 62746111

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine (CID 63987310) is 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine is CCC(N)Cc1ccnc(-c2ccncn2)n1.
What is the InChIKey of 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine?
The InChIKey is DWGFLLLZJTZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-9(13)7-10-3-6-15-12(17-10)11-4-5-14-8-16-11/h3-6,8-9H,2,7,13H2,1H3.
What are the key properties of 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine?
1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 63987310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).