2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

C12H19N3OS — CID 136762600

IUPAC2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(SC)CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-3-9-14-10(7-11(16)15-9)13-8-12(17-2)5-4-6-12/h7H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyYRACJNTVFMHAFA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.03
Rot. Bonds5

About 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762600) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762600
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(SC)CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-3-9-14-10(7-11(16)15-9)13-8-12(17-2)5-4-6-12/h7H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyYRACJNTVFMHAFA-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-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

2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
4-(6-methylsulfanylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723619
2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723620
4-[(3-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730577
2-ethyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730583
4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730587
2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762573
4-[(1-methylsulfanylcyclopropyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762576
2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762582
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762585
2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762587
2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762592

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136762600) is 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2(SC)CCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YRACJNTVFMHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-9-14-10(7-11(16)15-9)13-8-12(17-2)5-4-6-12/h7H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 253.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).