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

C12H20N4O2 — CID 136979613

IUPAC5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(N(CCO)C2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c13-10-11(14-8-15-12(10)18)16(6-7-17)9-4-2-1-3-5-9/h8-9,17H,1-7,13H2,(H,14,15,18)
InChIKeyDYOPWSQAMUOJGT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.48
Rot. Bonds4

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

5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979613) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136979613
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(N(CCO)C2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c13-10-11(14-8-15-12(10)18)16(6-7-17)9-4-2-1-3-5-9/h8-9,17H,1-7,13H2,(H,14,15,18)
InChIKeyDYOPWSQAMUOJGT-UHFFFAOYSA-N
XLogP0.48
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827311
4-[3-aminopropyl(cycloheptyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972588
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136989336
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
CID 136971088
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136807856
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
CID 114055510
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
CID 65336641
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
CID 102859460

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (CID 136979613) is 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is Nc1c(N(CCO)C2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DYOPWSQAMUOJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-10-11(14-8-15-12(10)18)16(6-7-17)9-4-2-1-3-5-9/h8-9,17H,1-7,13H2,(H,14,15,18).
What are the key properties of 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).