2,4-diaminopyrimidin-5-ol

C4H6N4O — CID 13126851

IUPAC2,4-diaminopyrimidin-5-ol
SMILESNc1ncc(O)c(N)n1
InChIInChI=1S/C4H6N4O/c5-3-2(9)1-7-4(6)8-3/h1,9H,(H4,5,6,7,8)
InChIKeyYQGHJCYLMLPCCB-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.65
Rot. Bonds

About 2,4-diaminopyrimidin-5-ol

2,4-diaminopyrimidin-5-ol (PubChem CID 13126851) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2,4-diaminopyrimidin-5-ol.

Molecular Properties

Compound Name2,4-diaminopyrimidin-5-ol
PubChem CID13126851
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2,4-diaminopyrimidin-5-ol
SMILESNc1ncc(O)c(N)n1
InChIInChI=1S/C4H6N4O/c5-3-2(9)1-7-4(6)8-3/h1,9H,(H4,5,6,7,8)
InChIKeyYQGHJCYLMLPCCB-UHFFFAOYSA-N
XLogP-0.65
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methoxypyrimidin-4-amine
CID 817704
2-Amino-5-methoxypyrimidine
CID 2305244
Pyrimidin-5-ol
CID 565855
2-Amino-5-hydroxypyrimidine
CID 17750388
2-(Methylsulfanyl)pyrimidin-5-ol
CID 588357
5-Pyrimidinol, 2-(1,1-dimethylethyl)-
CID 163499
4-Pyrimidinamine, 2,5-dimethoxy-
CID 250370
2-(Pyrrolidin-1-yl)pyrimidin-5-ol
CID 90342374
5-Methoxypyrimidine
CID 573467
4-Aminopyrimidin-5-ol
CID 14569053
2-Chloro-5-pyrimidinol
CID 14595700
5-Hydroxypyrimidine-2-carbonitrile
CID 45080096

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminopyrimidin-5-ol?
The IUPAC name of 2,4-diaminopyrimidin-5-ol (CID 13126851) is 2,4-diaminopyrimidin-5-ol.
What is the SMILES notation for 2,4-diaminopyrimidin-5-ol?
The canonical SMILES for 2,4-diaminopyrimidin-5-ol is Nc1ncc(O)c(N)n1.
What is the InChIKey of 2,4-diaminopyrimidin-5-ol?
The InChIKey is YQGHJCYLMLPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3-2(9)1-7-4(6)8-3/h1,9H,(H4,5,6,7,8).
What are the key properties of 2,4-diaminopyrimidin-5-ol?
2,4-diaminopyrimidin-5-ol has a molecular weight of 126.12 g/mol, XLogP of -0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminopyrimidin-5-ol is sourced from PubChem (CID 13126851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).