5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

C10H16N4OS — CID 136762594

IUPAC5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2N)CCC1
InChIInChI=1S/C10H16N4OS/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyAXOCPKANLRDXIH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.05
Rot. Bonds4

About 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762594) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762594
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2N)CCC1
InChIInChI=1S/C10H16N4OS/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyAXOCPKANLRDXIH-UHFFFAOYSA-N
XLogP1.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762584
5-iodo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762596
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-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780757
5-amino-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811834
5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857185
5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136868729

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136762594) is 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2nc[nH]c(=O)c2N)CCC1.
What is the InChIKey of 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AXOCPKANLRDXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).