4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one

C10H15ClN4O — CID 136827347

IUPAC4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESNCCN(c1nc[nH]c(=O)c1Cl)C1CCC1
InChIInChI=1S/C10H15ClN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyMVMIGFMYCISPFM-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.74
Rot. Bonds4

About 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one

4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136827347) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136827347
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESNCCN(c1nc[nH]c(=O)c1Cl)C1CCC1
InChIInChI=1S/C10H15ClN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyMVMIGFMYCISPFM-UHFFFAOYSA-N
XLogP0.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-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-aminoethyl(2,2-difluoroethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136728226
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136728233
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
4-(3-amino-4-methylpyrrolidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136677205
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713546
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713572
5-chloro-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726418
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726434
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780736
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 136827347) is 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one is NCCN(c1nc[nH]c(=O)c1Cl)C1CCC1.
What is the InChIKey of 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is MVMIGFMYCISPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136827347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).