5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one

C9H16N4O2S — CID 136901132

IUPAC5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCSC(CO)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2S/c1-5(6(3-14)16-2)13-8-7(10)9(15)12-4-11-8/h4-6,14H,3,10H2,1-2H3,(H2,11,12,13,15)
InChIKeyKVDXWVAYEIFOKI-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.12
Rot. Bonds5

About 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136901132) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136901132
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCSC(CO)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2S/c1-5(6(3-14)16-2)13-8-7(10)9(15)12-4-11-8/h4-6,14H,3,10H2,1-2H3,(H2,11,12,13,15)
InChIKeyKVDXWVAYEIFOKI-UHFFFAOYSA-N
XLogP-0.12
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)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-(4-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114578922
5-amino-4-[2-(3-hydroxypropylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136730534
5-bromo-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901133
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901138
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901139
5-chloro-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901140
5-amino-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975804
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(1-methylsulfanylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136977060
5-amino-4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136977090
5-amino-4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136977177
5-amino-4-(4-methylsulfanylbutylamino)-1H-pyrimidin-6-one
CID 136977214

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136901132) is 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one is CSC(CO)C(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KVDXWVAYEIFOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-5(6(3-14)16-2)13-8-7(10)9(15)12-4-11-8/h4-6,14H,3,10H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 244.32 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136901132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).