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

C7H12N4O3 — CID 145090056

IUPAC5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1cnc(NCC(O)CO)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c8-5-2-10-7(11-6(5)14)9-1-4(13)3-12/h2,4,12-13H,1,3,8H2,(H2,9,10,11,14)
InChIKeyQUSVLNHMPAINRF-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.88
Rot. Bonds4

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

5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 145090056) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID145090056
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1cnc(NCC(O)CO)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c8-5-2-10-7(11-6(5)14)9-1-4(13)3-12/h2,4,12-13H,1,3,8H2,(H2,9,10,11,14)
InChIKeyQUSVLNHMPAINRF-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (CID 145090056) is 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is Nc1cnc(NCC(O)CO)[nH]c1=O.
What is the InChIKey of 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is QUSVLNHMPAINRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-5-2-10-7(11-6(5)14)9-1-4(13)3-12/h2,4,12-13H,1,3,8H2,(H2,9,10,11,14).
What are the key properties of 5-amino-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
5-amino-2-(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-2-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 145090056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).