4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

C15H25N5O — CID 102887866

IUPAC4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCCNc1cc(N2CCCN(C)C(=O)C2)nc(CC)n1
InChIInChI=1S/C15H25N5O/c1-4-7-16-13-10-14(18-12(5-2)17-13)20-9-6-8-19(3)15(21)11-20/h10H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyPZGARVTWLDSDLK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.53
Rot. Bonds5

About 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102887866) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102887866
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCCNc1cc(N2CCCN(C)C(=O)C2)nc(CC)n1
InChIInChI=1S/C15H25N5O/c1-4-7-16-13-10-14(18-12(5-2)17-13)20-9-6-8-19(3)15(21)11-20/h10H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyPZGARVTWLDSDLK-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one 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-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80942182
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939867
1-methyl-4-[4-[1-(propylamino)ethyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 102889344
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80959189
4-[2-amino-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80843065
2-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80934171
4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102846599
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (CID 102887866) is 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is CCCNc1cc(N2CCCN(C)C(=O)C2)nc(CC)n1.
What is the InChIKey of 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is PZGARVTWLDSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-16-13-10-14(18-12(5-2)17-13)20-9-6-8-19(3)15(21)11-20/h10H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).