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

Analyze 3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
2-cyclopropyl-6-phenoxypyrimidin-4-amine
CID 80965794
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80958140
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80966516
3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile
CID 43262342
2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
CID 80965208
3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
CID 80863077
6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
CID 80965409
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951542
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744

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).