3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol

C13H16N4O — CID 11288025

IUPAC3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol
SMILESNc1nc(N)c(-c2ccccc2)c(CCCO)n1
InChIInChI=1S/C13H16N4O/c14-12-11(9-5-2-1-3-6-9)10(7-4-8-18)16-13(15)17-12/h1-3,5-6,18H,4,7-8H2,(H4,14,15,16,17)
InChIKeyYZNAOFOUJPSQCR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds4

About 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol

3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol (PubChem CID 11288025) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol
PubChem CID11288025
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol
SMILESNc1nc(N)c(-c2ccccc2)c(CCCO)n1
InChIInChI=1S/C13H16N4O/c14-12-11(9-5-2-1-3-6-9)10(7-4-8-18)16-13(15)17-12/h1-3,5-6,18H,4,7-8H2,(H4,14,15,16,17)
InChIKeyYZNAOFOUJPSQCR-UHFFFAOYSA-N
XLogP1.23
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol?
The IUPAC name of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol (CID 11288025) is 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol is Nc1nc(N)c(-c2ccccc2)c(CCCO)n1.
What is the InChIKey of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol?
The InChIKey is YZNAOFOUJPSQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-12-11(9-5-2-1-3-6-9)10(7-4-8-18)16-13(15)17-12/h1-3,5-6,18H,4,7-8H2,(H4,14,15,16,17).
What are the key properties of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol?
3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol has a molecular weight of 244.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propan-1-ol is sourced from PubChem (CID 11288025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).