N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine

C14H23N5 — CID 115265252

IUPACN-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
SMILESCC1CNCCN(c2cc(NC3CCC3)ncn2)C1
InChIInChI=1S/C14H23N5/c1-11-8-15-5-6-19(9-11)14-7-13(16-10-17-14)18-12-3-2-4-12/h7,10-12,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyXMSUVZQRRLXBLF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.49
Rot. Bonds3

About N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine

N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine (PubChem CID 115265252) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
PubChem CID115265252
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
SMILESCC1CNCCN(c2cc(NC3CCC3)ncn2)C1
InChIInChI=1S/C14H23N5/c1-11-8-15-5-6-19(9-11)14-7-13(16-10-17-14)18-12-3-2-4-12/h7,10-12,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyXMSUVZQRRLXBLF-UHFFFAOYSA-N
XLogP1.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
CID 115265369
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133377833
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 98042461
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine (CID 115265252) is N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine is CC1CNCCN(c2cc(NC3CCC3)ncn2)C1.
What is the InChIKey of N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
The InChIKey is XMSUVZQRRLXBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-8-15-5-6-19(9-11)14-7-13(16-10-17-14)18-12-3-2-4-12/h7,10-12,15H,2-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine?
N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 115265252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).