2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

C15H26N4 — CID 80656898

IUPAC2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCC1CCCN(Cc2nc(C)cc(NC)n2)CC1
InChIInChI=1S/C15H26N4/c1-4-13-6-5-8-19(9-7-13)11-15-17-12(2)10-14(16-3)18-15/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyCOVCVPHDBZNING-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds4

About 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80656898) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80656898
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCC1CCCN(Cc2nc(C)cc(NC)n2)CC1
InChIInChI=1S/C15H26N4/c1-4-13-6-5-8-19(9-7-13)11-15-17-12(2)10-14(16-3)18-15/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyCOVCVPHDBZNING-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-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

[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657678
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
CID 80656948
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
CID 81102789
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
1-[1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 80655266
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 103538650
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80656898) is 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is CCC1CCCN(Cc2nc(C)cc(NC)n2)CC1.
What is the InChIKey of 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is COVCVPHDBZNING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-13-6-5-8-19(9-7-13)11-15-17-12(2)10-14(16-3)18-15/h10,13H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80656898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).