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

C10H16N4O2 — CID 136975352

IUPAC5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CCCCC2O)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(12-5-13-10(8)16)14-6-3-1-2-4-7(6)15/h5-7,15H,1-4,11H2,(H2,12,13,14,16)
InChIKeyWLPUPWAVIOLGSS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.07
Rot. Bonds2

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

5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136975352) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136975352
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CCCCC2O)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(12-5-13-10(8)16)14-6-3-1-2-4-7(6)15/h5-7,15H,1-4,11H2,(H2,12,13,14,16)
InChIKeyWLPUPWAVIOLGSS-UHFFFAOYSA-N
XLogP0.07
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(2S)-2-hydroxynonan-3-yl]-1H-purin-9-ium-6-one
CID 176526185
2-amino-6-(1-hydroxybutyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136967479
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
5-amino-4-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695132
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817765
4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859482
4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136859483
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866826
5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902414
5-bromo-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956593
4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956594

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one (CID 136975352) is 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one is Nc1c(NC2CCCCC2O)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WLPUPWAVIOLGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(12-5-13-10(8)16)14-6-3-1-2-4-7(6)15/h5-7,15H,1-4,11H2,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).