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

C11H17N3OS — CID 136762582

IUPAC2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(SC)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c1-3-8-13-9(6-10(15)14-8)12-7-11(16-2)4-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLOTJTGKRRWITAU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.64
Rot. Bonds5

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

2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762582) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762582
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(SC)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c1-3-8-13-9(6-10(15)14-8)12-7-11(16-2)4-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLOTJTGKRRWITAU-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[(1-methylsulfanylcyclopropyl)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-propan-2-yl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842339
2-cyclopropyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842341
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
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
2-propan-2-yl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726591
2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726594
2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726600
2-cyclopropyl-4-[2-(3-hydroxypropylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136730538

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136762582) is 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2(SC)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LOTJTGKRRWITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-8-13-9(6-10(15)14-8)12-7-11(16-2)4-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.64, 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-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).