4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one

C10H17N3O2 — CID 10822386

IUPAC4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one
SMILESNc1ccn(CCCCCCO)c(=O)n1
InChIInChI=1S/C10H17N3O2/c11-9-5-7-13(10(15)12-9)6-3-1-2-4-8-14/h5,7,14H,1-4,6,8H2,(H2,11,12,15)
InChIKeyPSYMNSZUSWINDP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.38
Rot. Bonds6

About 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one

4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one (PubChem CID 10822386) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one
PubChem CID10822386
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one
SMILESNc1ccn(CCCCCCO)c(=O)n1
InChIInChI=1S/C10H17N3O2/c11-9-5-7-13(10(15)12-9)6-3-1-2-4-8-14/h5,7,14H,1-4,6,8H2,(H2,11,12,15)
InChIKeyPSYMNSZUSWINDP-UHFFFAOYSA-N
XLogP0.38
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 25147786
4-Amino-1-(3,6-dihydroxyhexyl)pyrimidin-2-one
CID 44461481
4-Amino-1-(3,5-dihydroxypentyl)pyrimidin-2-one
CID 452404
4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one
CID 503409
4-Amino-1-[1-(fluoromethyl)-4-hydroxy-butyl]pyrimidin-2-one
CID 5272913
4-Amino-1-(5-fluoro-4-hydroxy-pentyl)pyrimidin-2-one
CID 5272917
4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 138115461
4-amino-1-[(2S,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 138115463
4-Amino-1-(2,2,3,3,4,4-hexafluoro-5-hydroxy-pentyl)pyrimidin-2-one
CID 129909670
4-amino-1-[(2S,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 139266610
4-Amino-1-(1,5-dihydroxy-4-methylpentyl)pyrimidin-2-one
CID 18348321
4-amino-1-[(4R)-4-amino-7-hydroxyheptyl]pyrimidin-2-one
CID 52919784

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one (CID 10822386) is 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one is Nc1ccn(CCCCCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one?
The InChIKey is PSYMNSZUSWINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-9-5-7-13(10(15)12-9)6-3-1-2-4-8-14/h5,7,14H,1-4,6,8H2,(H2,11,12,15).
What are the key properties of 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one?
4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-hydroxyhexyl)pyrimidin-2-one is sourced from PubChem (CID 10822386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).