4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

C10H16N4O2 — CID 142192955

IUPAC4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SMILESNc1ccn(C2CC[C@@](N)(CO)C2)c(=O)n1
InChIInChI=1S/C10H16N4O2/c11-8-2-4-14(9(16)13-8)7-1-3-10(12,5-7)6-15/h2,4,7,15H,1,3,5-6,12H2,(H2,11,13,16)/t7?,10-/m0/s1
InChIKeyNSMKBBJRRXJDOF-MHPPCMCBSA-N
MW224.26 g/mol
LogP-0.76
Rot. Bonds2

About 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one (PubChem CID 142192955) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
PubChem CID142192955
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SMILESNc1ccn(C2CC[C@@](N)(CO)C2)c(=O)n1
InChIInChI=1S/C10H16N4O2/c11-8-2-4-14(9(16)13-8)7-1-3-10(12,5-7)6-15/h2,4,7,15H,1,3,5-6,12H2,(H2,11,13,16)/t7?,10-/m0/s1
InChIKeyNSMKBBJRRXJDOF-MHPPCMCBSA-N
XLogP-0.76
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
4-amino-1-[4,4-bis(hydroxymethyl)-2-methylcyclopent-2-en-1-yl]pyrimidin-2-one
CID 11482118
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
CID 138526614
4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one
CID 142042837
4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one
CID 3013709
4-amino-1-[(2R,5S)-5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11345359
4-amino-1-[(4R,6S)-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-yl]pyrimidin-2-one
CID 143920104
4-amino-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 101384097
4-amino-1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 25062015
4-amino-1-[1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
CID 141009241
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
4-amino-1-[(5S)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 134312316

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one (CID 142192955) is 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one is Nc1ccn(C2CC[C@@](N)(CO)C2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The InChIKey is NSMKBBJRRXJDOF-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-2-4-14(9(16)13-8)7-1-3-10(12,5-7)6-15/h2,4,7,15H,1,3,5-6,12H2,(H2,11,13,16)/t7?,10-/m0/s1.
What are the key properties of 4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.76, 2 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-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one is sourced from PubChem (CID 142192955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).