3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile

C14H12N4O — CID 80965784

IUPAC3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2cc(N)nc(C3CC3)n2)c1
InChIInChI=1S/C14H12N4O/c15-8-9-2-1-3-11(6-9)19-13-7-12(16)17-14(18-13)10-4-5-10/h1-3,6-7,10H,4-5H2,(H2,16,17,18)
InChIKeyQWNWEDDKVIIBAX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.60
Rot. Bonds3

About 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile

3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80965784) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80965784
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2cc(N)nc(C3CC3)n2)c1
InChIInChI=1S/C14H12N4O/c15-8-9-2-1-3-11(6-9)19-13-7-12(16)17-14(18-13)10-4-5-10/h1-3,6-7,10H,4-5H2,(H2,16,17,18)
InChIKeyQWNWEDDKVIIBAX-UHFFFAOYSA-N
XLogP2.60
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile (CID 80965784) is 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile is N#Cc1cccc(Oc2cc(N)nc(C3CC3)n2)c1.
What is the InChIKey of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is QWNWEDDKVIIBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-8-9-2-1-3-11(6-9)19-13-7-12(16)17-14(18-13)10-4-5-10/h1-3,6-7,10H,4-5H2,(H2,16,17,18).
What are the key properties of 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile?
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 80965784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).