1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine

C13H17N5O — CID 102952915

IUPAC1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C13H17N5O/c1-3-9(14)6-10-4-5-15-13(18-10)11-7-12(19-2)17-8-16-11/h4-5,7-9H,3,6,14H2,1-2H3
InChIKeyYRSHABSFFFLJGH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine

1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine (PubChem CID 102952915) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
PubChem CID102952915
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C13H17N5O/c1-3-9(14)6-10-4-5-15-13(18-10)11-7-12(19-2)17-8-16-11/h4-5,7-9H,3,6,14H2,1-2H3
InChIKeyYRSHABSFFFLJGH-UHFFFAOYSA-N
XLogP1.22
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
CID 63987310
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 115531276
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid
CID 102952904
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 102953039
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
2-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 102949599
[2-(6-methoxypyrimidin-4-yl)-6-methylpyrimidin-4-yl]methanol
CID 102952908
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
1-[2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]butan-2-amine
CID 65133488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine (CID 102952915) is 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine is CCC(N)Cc1ccnc(-c2cc(OC)ncn2)n1.
What is the InChIKey of 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
The InChIKey is YRSHABSFFFLJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-9(14)6-10-4-5-15-13(18-10)11-7-12(19-2)17-8-16-11/h4-5,7-9H,3,6,14H2,1-2H3.
What are the key properties of 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine?
1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 102952915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).