6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine

C20H27N5O — CID 112864664

IUPAC6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESc1ccc(N2CCOCC2)c(Nc2cc(N3CCCCCC3)ncn2)c1
InChIInChI=1S/C20H27N5O/c1-2-6-10-25(9-5-1)20-15-19(21-16-22-20)23-17-7-3-4-8-18(17)24-11-13-26-14-12-24/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,21,22,23)
InChIKeyJRNHWRQYJQRKIS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.44
Rot. Bonds4

About 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine

6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 112864664) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID112864664
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESc1ccc(N2CCOCC2)c(Nc2cc(N3CCCCCC3)ncn2)c1
InChIInChI=1S/C20H27N5O/c1-2-6-10-25(9-5-1)20-15-19(21-16-22-20)23-17-7-3-4-8-18(17)24-11-13-26-14-12-24/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,21,22,23)
InChIKeyJRNHWRQYJQRKIS-UHFFFAOYSA-N
XLogP3.44
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112864782
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666
N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine
CID 122282532
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112862016
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 112864664) is 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine is c1ccc(N2CCOCC2)c(Nc2cc(N3CCCCCC3)ncn2)c1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is JRNHWRQYJQRKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-6-10-25(9-5-1)20-15-19(21-16-22-20)23-17-7-3-4-8-18(17)24-11-13-26-14-12-24/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,21,22,23).
What are the key properties of 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112864664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).