5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one

C7H10ClN3O3 — CID 136976243

IUPAC5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC(O)CO)c1Cl
InChIInChI=1S/C7H10ClN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14)
InChIKeyHGBXHDCECPORRG-UHFFFAOYSA-N
MW219.63 g/mol
LogP-0.81
Rot. Bonds4

About 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one

5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136976243) has the molecular formula C7H10ClN3O3 and a molecular weight of 219.63 g/mol. Its IUPAC name is 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136976243
Molecular FormulaC7H10ClN3O3
Molecular Weight219.63 g/mol
Exact Mass219.04
IUPAC Name5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC(O)CO)c1Cl
InChIInChI=1S/C7H10ClN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14)
InChIKeyHGBXHDCECPORRG-UHFFFAOYSA-N
XLogP-0.81
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-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

5-chloro-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790772
5-chloro-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790784
5-chloro-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730529
5-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766520
5-chloro-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805773
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849668
5-chloro-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852194
5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900935
5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900944
4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956912
5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 136956914
4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 136956915

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (CID 136976243) is 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC(O)CO)c1Cl.
What is the InChIKey of 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is HGBXHDCECPORRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14).
What are the key properties of 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 219.63 g/mol, XLogP of -0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).