pyrimidin-2-amine;hydrate

C4H7N3O — CID 174293375

IUPACpyrimidin-2-amine;hydrate
SMILESNc1ncccn1.O
InChIInChI=1S/C4H5N3.H2O/c5-4-6-2-1-3-7-4;/h1-3H,(H2,5,6,7);1H2
InChIKeyBSPZXFGYGAKJNT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.77
Rot. Bonds

About pyrimidin-2-amine;hydrate

pyrimidin-2-amine;hydrate (PubChem CID 174293375) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is pyrimidin-2-amine;hydrate.

Molecular Properties

Compound Namepyrimidin-2-amine;hydrate
PubChem CID174293375
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Namepyrimidin-2-amine;hydrate
SMILESNc1ncccn1.O
InChIInChI=1S/C4H5N3.H2O/c5-4-6-2-1-3-7-4;/h1-3H,(H2,5,6,7);1H2
InChIKeyBSPZXFGYGAKJNT-UHFFFAOYSA-N
XLogP-0.77
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;pyrimidin-2-amine
CID 174721479
aniline;pyrimidin-2-amine
CID 160724297
pyrimidin-2-amine;toluene
CID 157408891
bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one;pyrimidin-2-amine
CID 174906802
ethyl propanoate;pyrimidin-2-amine
CID 175262860
pyrimidin-2-amine;1H-pyrrolo[2,3-b]pyridine
CID 67326610
2,2-dimethylpiperazine;pyrimidin-2-amine
CID 174868369
2,6-diamino-1H-pyrimidine-4-thione;pyrimidin-2-amine
CID 141261421
bis(nonanoic acid);pyrimidin-2-amine
CID 139195998
1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride
CID 88517074
benzo[de]isoquinoline-1,3-dione;pyrimidin-2-amine
CID 174839176
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;hydrate?
The IUPAC name of pyrimidin-2-amine;hydrate (CID 174293375) is pyrimidin-2-amine;hydrate.
What is the SMILES notation for pyrimidin-2-amine;hydrate?
The canonical SMILES for pyrimidin-2-amine;hydrate is Nc1ncccn1.O.
What is the InChIKey of pyrimidin-2-amine;hydrate?
The InChIKey is BSPZXFGYGAKJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.H2O/c5-4-6-2-1-3-7-4;/h1-3H,(H2,5,6,7);1H2.
What are the key properties of pyrimidin-2-amine;hydrate?
pyrimidin-2-amine;hydrate has a molecular weight of 113.12 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;hydrate is sourced from PubChem (CID 174293375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).