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

C13H17N5 — CID 115531276

IUPAC1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2ccnc(C)n2)n1
InChIInChI=1S/C13H17N5/c1-3-10(14)8-11-4-6-16-13(18-11)12-5-7-15-9(2)17-12/h4-7,10H,3,8,14H2,1-2H3
InChIKeyXBRLRSOZEUCFTR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.52
Rot. Bonds4

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

1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine (PubChem CID 115531276) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
PubChem CID115531276
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2ccnc(C)n2)n1
InChIInChI=1S/C13H17N5/c1-3-10(14)8-11-4-6-16-13(18-11)12-5-7-15-9(2)17-12/h4-7,10H,3,8,14H2,1-2H3
InChIKeyXBRLRSOZEUCFTR-UHFFFAOYSA-N
XLogP1.52
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
CID 63987310
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 102952915
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
1-[2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]butan-2-amine
CID 65133488
4-(2-bromobutyl)-2-methylpyrimidine
CID 63203331
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 62745750
2-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 115529262
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine (CID 115531276) is 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine is CCC(N)Cc1ccnc(-c2ccnc(C)n2)n1.
What is the InChIKey of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
The InChIKey is XBRLRSOZEUCFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-10(14)8-11-4-6-16-13(18-11)12-5-7-15-9(2)17-12/h4-7,10H,3,8,14H2,1-2H3.
What are the key properties of 1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.52, 4 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]butan-2-amine is sourced from PubChem (CID 115531276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).