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

C7H12N4O3 — CID 135451137

IUPAC2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCC(O)CO)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O3/c8-7-10-5(1-6(14)11-7)9-2-4(13)3-12/h1,4,12-13H,2-3H2,(H4,8,9,10,11,14)
InChIKeyDFBHHJIGZSYBAD-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.88
Rot. Bonds4

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

2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 135451137) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID135451137
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCC(O)CO)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O3/c8-7-10-5(1-6(14)11-7)9-2-4(13)3-12/h1,4,12-13H,2-3H2,(H4,8,9,10,11,14)
InChIKeyDFBHHJIGZSYBAD-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

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Related Compounds

2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol
CID 135489793
2-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one
CID 135547020
5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 145090056
2-Amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 163296378
2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063051
2-amino-1-[(2S)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063085
2-Amino-6-(2-hydroxypropylamino)-3-methylpyrimidin-4-one
CID 130626255
2-Amino-6-[(2-hydroxyethyl)amino]pyrimidin-4(1h)-one
CID 135408652
4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956078
4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136956763
4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136956903
4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956912

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (CID 135451137) is 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is Nc1nc(NCC(O)CO)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is DFBHHJIGZSYBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-7-10-5(1-6(14)11-7)9-2-4(13)3-12/h1,4,12-13H,2-3H2,(H4,8,9,10,11,14).
What are the key properties of 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
2-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 2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135451137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).