4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one

C9H15N3O3 — CID 503409

IUPAC4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one
SMILESNc1ccn(CC[C@H](O)CCO)c(=O)n1
InChIInChI=1S/C9H15N3O3/c10-8-2-5-12(9(15)11-8)4-1-7(14)3-6-13/h2,5,7,13-14H,1,3-4,6H2,(H2,10,11,15)/t7-/m0/s1
InChIKeyQOKXRDKHZOBSCT-ZETCQYMHSA-N
MW213.24 g/mol
LogP-1.04
Rot. Bonds5

About 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one

4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one (PubChem CID 503409) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one
PubChem CID503409
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one
SMILESNc1ccn(CC[C@H](O)CCO)c(=O)n1
InChIInChI=1S/C9H15N3O3/c10-8-2-5-12(9(15)11-8)4-1-7(14)3-6-13/h2,5,7,13-14H,1,3-4,6H2,(H2,10,11,15)/t7-/m0/s1
InChIKeyQOKXRDKHZOBSCT-ZETCQYMHSA-N
XLogP-1.04
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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2'-dC B-D-threo
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4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
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4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 90683007
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4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one (CID 503409) is 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one is Nc1ccn(CC[C@H](O)CCO)c(=O)n1.
What is the InChIKey of 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one?
The InChIKey is QOKXRDKHZOBSCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-8-2-5-12(9(15)11-8)4-1-7(14)3-6-13/h2,5,7,13-14H,1,3-4,6H2,(H2,10,11,15)/t7-/m0/s1.
What are the key properties of 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one?
4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one has a molecular weight of 213.24 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one is sourced from PubChem (CID 503409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).