5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one

C11H20N4OS — CID 136762584

IUPAC5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CNc1nc[nH]c(=O)c1N)SC
InChIInChI=1S/C11H20N4OS/c1-4-11(5-2,17-3)6-13-9-8(12)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyDQIVUCUVUIOSLE-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.69
Rot. Bonds6

About 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136762584) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136762584
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CNc1nc[nH]c(=O)c1N)SC
InChIInChI=1S/C11H20N4OS/c1-4-11(5-2,17-3)6-13-9-8(12)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyDQIVUCUVUIOSLE-UHFFFAOYSA-N
XLogP1.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-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

5-amino-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730576
5-amino-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730586
5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762575
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136762588
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762590
5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762594
5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778319
5-amino-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778336
5-amino-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778342
5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811834
5-amino-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823721
5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
CID 136896820

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one (CID 136762584) is 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one is CCC(CC)(CNc1nc[nH]c(=O)c1N)SC.
What is the InChIKey of 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DQIVUCUVUIOSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-11(5-2,17-3)6-13-9-8(12)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 256.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).