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

C11H18N4OS — CID 136778319

IUPAC5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4OS/c1-17-8-4-2-7(3-5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyFMIRVHCYBYEPDM-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.44
Rot. Bonds3

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

5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136778319) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136778319
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4OS/c1-17-8-4-2-7(3-5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyFMIRVHCYBYEPDM-UHFFFAOYSA-N
XLogP1.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-amino-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730576
5-iodo-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730580
4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730582
5-amino-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730586
5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762584
5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762594
5-iodo-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778314
4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778316
5-chloro-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778323
5-iodo-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778324
4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778326

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136778319) is 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is CSC1CCC(Nc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FMIRVHCYBYEPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-17-8-4-2-7(3-5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 254.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).