4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one

C11H19N3O2 — CID 123590345

IUPAC4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one
SMILESCCC(C)CCC(O)n1ccc(N)nc1=O
InChIInChI=1S/C11H19N3O2/c1-3-8(2)4-5-10(15)14-7-6-9(12)13-11(14)16/h6-8,10,15H,3-5H2,1-2H3,(H2,12,13,16)
InChIKeyKMWWZHRVQVDNKL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds5

About 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one

4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one (PubChem CID 123590345) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one
PubChem CID123590345
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one
SMILESCCC(C)CCC(O)n1ccc(N)nc1=O
InChIInChI=1S/C11H19N3O2/c1-3-8(2)4-5-10(15)14-7-6-9(12)13-11(14)16/h6-8,10,15H,3-5H2,1-2H3,(H2,12,13,16)
InChIKeyKMWWZHRVQVDNKL-UHFFFAOYSA-N
XLogP1.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]pyrimidin-2-one
CID 5273916
4-Amino-1-(3,6-dihydroxyhexyl)pyrimidin-2-one
CID 44461481
4-amino-1-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 479230
4-amino-1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 476779
4-amino-1-[(4S)-5-ethyl-3-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 58681838
4-amino-1-[(1R,2R,3R,4S)-2-fluoro-1,3-dihydroxy-4-(hydroxymethyl)hexyl]pyrimidin-2-one
CID 89822824
4-amino-1-[(2S,3R,4S,5S)-5-ethyl-3-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 91068912
4-amino-1-[(1R,3R,4S)-2,2-difluoro-1,3-dihydroxy-4-(hydroxymethyl)hexyl]pyrimidin-2-one
CID 117802040
4-amino-1-[(1R,2S,3R,4S)-2-fluoro-1,3-dihydroxy-4-(hydroxymethyl)hexyl]pyrimidin-2-one
CID 121429428
4-amino-1-[(5R)-3-fluoro-5-(2-hydroxyethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 156217336
4-Amino-1-[5-ethyl-3-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21040932
4-amino-1-[(2S,3S,4S,5S)-5-ethyl-3-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 160748984

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one (CID 123590345) is 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one is CCC(C)CCC(O)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one?
The InChIKey is KMWWZHRVQVDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-8(2)4-5-10(15)14-7-6-9(12)13-11(14)16/h6-8,10,15H,3-5H2,1-2H3,(H2,12,13,16).
What are the key properties of 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one?
4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one is sourced from PubChem (CID 123590345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).