N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine

C15H26N4 — CID 80836906

IUPACN-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-16-15-17-9-7-14(18-15)19-10-5-6-13(8-11-19)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,16,17,18)
InChIKeyQGVIJVVFNINUEI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.17
Rot. Bonds4

About N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine

N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine (PubChem CID 80836906) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
PubChem CID80836906
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-16-15-17-9-7-14(18-15)19-10-5-6-13(8-11-19)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,16,17,18)
InChIKeyQGVIJVVFNINUEI-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-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

[4-(4-propan-2-ylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103504775
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 146074375
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine (CID 80836906) is N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine is CCNc1nccc(N2CCCC(C(C)C)CC2)n1.
What is the InChIKey of N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine?
The InChIKey is QGVIJVVFNINUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-16-15-17-9-7-14(18-15)19-10-5-6-13(8-11-19)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine?
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80836906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).