6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C22H25N5 — CID 112881321

IUPAC6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3ccccn3)cc(N3CCCCCC3)n2)cc1
InChIInChI=1S/C22H25N5/c1-2-9-15-27(14-8-1)21-16-20(24-17-19-12-6-7-13-23-19)25-22(26-21)18-10-4-3-5-11-18/h3-7,10-13,16H,1-2,8-9,14-15,17H2,(H,24,25,26)
InChIKeyBSYYESAPPQIHCL-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.53
Rot. Bonds5

About 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 112881321) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID112881321
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3ccccn3)cc(N3CCCCCC3)n2)cc1
InChIInChI=1S/C22H25N5/c1-2-9-15-27(14-8-1)21-16-20(24-17-19-12-6-7-13-23-19)25-22(26-21)18-10-4-3-5-11-18/h3-7,10-13,16H,1-2,8-9,14-15,17H2,(H,24,25,26)
InChIKeyBSYYESAPPQIHCL-UHFFFAOYSA-N
XLogP4.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873221
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 112881321) is 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is c1ccc(-c2nc(NCc3ccccn3)cc(N3CCCCCC3)n2)cc1.
What is the InChIKey of 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is BSYYESAPPQIHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-2-9-15-27(14-8-1)21-16-20(24-17-19-12-6-7-13-23-19)25-22(26-21)18-10-4-3-5-11-18/h3-7,10-13,16H,1-2,8-9,14-15,17H2,(H,24,25,26).
What are the key properties of 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112881321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).