2,4-diamino-6-prop-2-enylpyrimidin-5-ol

C7H10N4O — CID 70538477

IUPAC2,4-diamino-6-prop-2-enylpyrimidin-5-ol
SMILESC=CCc1nc(N)nc(N)c1O
InChIInChI=1S/C7H10N4O/c1-2-3-4-5(12)6(8)11-7(9)10-4/h2,12H,1,3H2,(H4,8,9,10,11)
InChIKeyPWEPFCOTIBHUNR-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.08
Rot. Bonds2

About 2,4-diamino-6-prop-2-enylpyrimidin-5-ol

2,4-diamino-6-prop-2-enylpyrimidin-5-ol (PubChem CID 70538477) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,4-diamino-6-prop-2-enylpyrimidin-5-ol.

Molecular Properties

Compound Name2,4-diamino-6-prop-2-enylpyrimidin-5-ol
PubChem CID70538477
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2,4-diamino-6-prop-2-enylpyrimidin-5-ol
SMILESC=CCc1nc(N)nc(N)c1O
InChIInChI=1S/C7H10N4O/c1-2-3-4-5(12)6(8)11-7(9)10-4/h2,12H,1,3H2,(H4,8,9,10,11)
InChIKeyPWEPFCOTIBHUNR-UHFFFAOYSA-N
XLogP0.08
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-prop-2-enylpyrimidin-5-ol?
The IUPAC name of 2,4-diamino-6-prop-2-enylpyrimidin-5-ol (CID 70538477) is 2,4-diamino-6-prop-2-enylpyrimidin-5-ol.
What is the SMILES notation for 2,4-diamino-6-prop-2-enylpyrimidin-5-ol?
The canonical SMILES for 2,4-diamino-6-prop-2-enylpyrimidin-5-ol is C=CCc1nc(N)nc(N)c1O.
What is the InChIKey of 2,4-diamino-6-prop-2-enylpyrimidin-5-ol?
The InChIKey is PWEPFCOTIBHUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-3-4-5(12)6(8)11-7(9)10-4/h2,12H,1,3H2,(H4,8,9,10,11).
What are the key properties of 2,4-diamino-6-prop-2-enylpyrimidin-5-ol?
2,4-diamino-6-prop-2-enylpyrimidin-5-ol has a molecular weight of 166.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-prop-2-enylpyrimidin-5-ol is sourced from PubChem (CID 70538477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).