4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one

C10H16N4OS — CID 136693086

IUPAC4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SC2CCCCC2N)n1
InChIInChI=1S/C10H16N4OS/c11-6-3-1-2-4-7(6)16-10-13-8(12)5-9(15)14-10/h5-7H,1-4,11H2,(H3,12,13,14,15)
InChIKeyAXKVQVRNRDYVIU-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.71
Rot. Bonds2

About 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one

4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 136693086) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID136693086
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SC2CCCCC2N)n1
InChIInChI=1S/C10H16N4OS/c11-6-3-1-2-4-7(6)16-10-13-8(12)5-9(15)14-10/h5-7H,1-4,11H2,(H3,12,13,14,15)
InChIKeyAXKVQVRNRDYVIU-UHFFFAOYSA-N
XLogP0.71
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 135403543
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 135464476
2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
CID 62807418
2-[2-(methylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64609301
2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
CID 64610121
2-(2-aminocycloheptyl)sulfanyl-1H-pyrimidin-6-one
CID 64610726
2-(2-aminocyclododecyl)sulfanyl-1H-pyrimidin-6-one
CID 64610734
2-[5-(methylamino)hexylsulfanyl]-1H-pyrimidin-6-one
CID 64611346
2-(5-aminohexylsulfanyl)-1H-pyrimidin-6-one
CID 64611545
2-[2-(propylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611552
2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611946

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one (CID 136693086) is 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SC2CCCCC2N)n1.
What is the InChIKey of 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is AXKVQVRNRDYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-6-3-1-2-4-7(6)16-10-13-8(12)5-9(15)14-10/h5-7H,1-4,11H2,(H3,12,13,14,15).
What are the key properties of 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136693086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).