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

C7H12N4O3 — CID 136976241

IUPAC5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC(O)CO)nc[nH]c1=O
InChIInChI=1S/C7H12N4O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2,8H2,(H2,9,10,11,14)
InChIKeySXXUWGWYHVAXCV-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.88
Rot. Bonds4

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

5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136976241) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136976241
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC(O)CO)nc[nH]c1=O
InChIInChI=1S/C7H12N4O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2,8H2,(H2,9,10,11,14)
InChIKeySXXUWGWYHVAXCV-UHFFFAOYSA-N
XLogP-1.88
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-amino-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-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
2,5-Diamino-6-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271499
2-amino-9-(2,3-dihydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136474906
5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 145090056
N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide
CID 175520631
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730525
4,5-diamino-2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136738588
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805766
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849661

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (CID 136976241) is 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is Nc1c(NCC(O)CO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is SXXUWGWYHVAXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2,8H2,(H2,9,10,11,14).
What are the key properties of 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 200.20 g/mol, XLogP of -1.88, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).