4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one

C10H15N3O2 — CID 70453776

IUPAC4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one
SMILESNc1ccn(CCC2(CO)CC2)c(=O)n1
InChIInChI=1S/C10H15N3O2/c11-8-1-5-13(9(15)12-8)6-4-10(7-14)2-3-10/h1,5,14H,2-4,6-7H2,(H2,11,12,15)
InChIKeyMZATXDDSCZYPDW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.01
Rot. Bonds4

About 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one

4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one (PubChem CID 70453776) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one
PubChem CID70453776
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one
SMILESNc1ccn(CCC2(CO)CC2)c(=O)n1
InChIInChI=1S/C10H15N3O2/c11-8-1-5-13(9(15)12-8)6-4-10(7-14)2-3-10/h1,5,14H,2-4,6-7H2,(H2,11,12,15)
InChIKeyMZATXDDSCZYPDW-UHFFFAOYSA-N
XLogP-0.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 469182
4-amino-1-[[(1S,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 479154
4-amino-1-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 479230
4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 3011518
4-amino-1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 3011519
4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 10513378
4-amino-1-[[(1S,2S)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 10751659
4-amino-1-[(1R,2R)-1-fluoro-2-(hydroxymethyl)-2-methylcyclopropyl]pyrimidin-2-one
CID 44426730
4-amino-1-[(1S,2R)-1-fluoro-2-(hydroxymethyl)-2-methylcyclopropyl]pyrimidin-2-one
CID 44426735
1-(3,3-Bishydroxymethylcyclobut-1-yl)-cytosine
CID 453453
4-Amino-1-[3-fluoro-4-hydroxy-3-(hydroxymethyl)butyl]pyrimidin-2-one
CID 21642816
4-amino-1-[[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 11356325

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one (CID 70453776) is 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one is Nc1ccn(CCC2(CO)CC2)c(=O)n1.
What is the InChIKey of 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one?
The InChIKey is MZATXDDSCZYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-8-1-5-13(9(15)12-8)6-4-10(7-14)2-3-10/h1,5,14H,2-4,6-7H2,(H2,11,12,15).
What are the key properties of 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one?
4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 70453776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).