2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C15H18ClN3O2 — CID 79432601

IUPAC2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)(CC)c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C15H18ClN3O2/c1-3-15(17,4-2)14-18-12(20)11(13(21)19-14)9-5-7-10(16)8-6-9/h5-8H,3-4,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyRHQNLBNWPFBKFC-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79432601) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79432601
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)(CC)c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C15H18ClN3O2/c1-3-15(17,4-2)14-18-12(20)11(13(21)19-14)9-5-7-10(16)8-6-9/h5-8H,3-4,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyRHQNLBNWPFBKFC-UHFFFAOYSA-N
XLogP2.77
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79432601) is 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CCC(N)(CC)c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RHQNLBNWPFBKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-15(17,4-2)14-18-12(20)11(13(21)19-14)9-5-7-10(16)8-6-9/h5-8H,3-4,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 307.78 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79432601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).