3-hydroxy-4H-pyrimidine-2,4-diamine

C4H8N4O — CID 24752334

IUPAC3-hydroxy-4H-pyrimidine-2,4-diamine
SMILESNC1=NC=CC(N)N1O
InChIInChI=1S/C4H8N4O/c5-3-1-2-7-4(6)8(3)9/h1-3,9H,5H2,(H2,6,7)
InChIKeyALPYWVBJCLGVJD-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.20
Rot. Bonds

About 3-hydroxy-4H-pyrimidine-2,4-diamine

3-hydroxy-4H-pyrimidine-2,4-diamine (PubChem CID 24752334) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-hydroxy-4H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-hydroxy-4H-pyrimidine-2,4-diamine
PubChem CID24752334
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name3-hydroxy-4H-pyrimidine-2,4-diamine
SMILESNC1=NC=CC(N)N1O
InChIInChI=1S/C4H8N4O/c5-3-1-2-7-4(6)8(3)9/h1-3,9H,5H2,(H2,6,7)
InChIKeyALPYWVBJCLGVJD-UHFFFAOYSA-N
XLogP-1.20
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4H-pyrimidine-2,4-diamine?
The IUPAC name of 3-hydroxy-4H-pyrimidine-2,4-diamine (CID 24752334) is 3-hydroxy-4H-pyrimidine-2,4-diamine.
What is the SMILES notation for 3-hydroxy-4H-pyrimidine-2,4-diamine?
The canonical SMILES for 3-hydroxy-4H-pyrimidine-2,4-diamine is NC1=NC=CC(N)N1O.
What is the InChIKey of 3-hydroxy-4H-pyrimidine-2,4-diamine?
The InChIKey is ALPYWVBJCLGVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-3-1-2-7-4(6)8(3)9/h1-3,9H,5H2,(H2,6,7).
What are the key properties of 3-hydroxy-4H-pyrimidine-2,4-diamine?
3-hydroxy-4H-pyrimidine-2,4-diamine has a molecular weight of 128.13 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4H-pyrimidine-2,4-diamine is sourced from PubChem (CID 24752334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).