4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one

C10H15N3O3 — CID 163774560

IUPAC4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one
SMILESCO[C@H](CO)C1CC1n1ccc(N)nc1=O
InChIInChI=1S/C10H15N3O3/c1-16-8(5-14)6-4-7(6)13-3-2-9(11)12-10(13)15/h2-3,6-8,14H,4-5H2,1H3,(H2,11,12,15)/t6?,7?,8-/m1/s1
InChIKeyMJHAEGWOBVYLFD-KAVNDROISA-N
MW225.25 g/mol
LogP-0.61
Rot. Bonds4

About 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one

4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one (PubChem CID 163774560) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one
PubChem CID163774560
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one
SMILESCO[C@H](CO)C1CC1n1ccc(N)nc1=O
InChIInChI=1S/C10H15N3O3/c1-16-8(5-14)6-4-7(6)13-3-2-9(11)12-10(13)15/h2-3,6-8,14H,4-5H2,1H3,(H2,11,12,15)/t6?,7?,8-/m1/s1
InChIKeyMJHAEGWOBVYLFD-KAVNDROISA-N
XLogP-0.61
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]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-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 146237726
4-amino-1-[(1R,3S,4S)-4-hydroxy-1-(hydroxymethyl)-1-oxo-1λ5-phospholan-3-yl]pyrimidin-2-one
CID 102435004
[1-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
CID 171390727
4-amino-1-[5-(hydroxymethyl)-4-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59552995
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(2S,4S,5R)-5-(hydroxymethyl)-4-methylsulfanyloxolan-2-yl]pyrimidin-2-one
CID 10332688
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one
CID 3013709
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one (CID 163774560) is 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one is CO[C@H](CO)C1CC1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one?
The InChIKey is MJHAEGWOBVYLFD-KAVNDROISA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-8(5-14)6-4-7(6)13-3-2-9(11)12-10(13)15/h2-3,6-8,14H,4-5H2,1H3,(H2,11,12,15)/t6?,7?,8-/m1/s1.
What are the key properties of 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one?
4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one is sourced from PubChem (CID 163774560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).