2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 63555543

IUPAC2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2(N)CCCCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-8(2)9-10(17)15-12(16-11(9)18)13(14)6-4-3-5-7-13/h8H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyHCMLEOFIYTZEFU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds2

About 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63555543) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63555543
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2(N)CCCCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-8(2)9-10(17)15-12(16-11(9)18)13(14)6-4-3-5-7-13/h8H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyHCMLEOFIYTZEFU-UHFFFAOYSA-N
XLogP1.72
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63555543) is 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2(N)CCCCC2)[nH]c1=O.
What is the InChIKey of 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HCMLEOFIYTZEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)9-10(17)15-12(16-11(9)18)13(14)6-4-3-5-7-13/h8H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).