3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

C15H14ClN3O2 — CID 103566735

IUPAC3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2cc(Cl)nc(C(C)C)n2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9(2)15-18-13(16)7-14(19-15)21-12-5-10(8-17)4-11(6-12)20-3/h4-7,9H,1-3H3
InChIKeyVEFYCCCTNHVUOK-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.93
Rot. Bonds4

About 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (PubChem CID 103566735) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
PubChem CID103566735
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2cc(Cl)nc(C(C)C)n2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9(2)15-18-13(16)7-14(19-15)21-12-5-10(8-17)4-11(6-12)20-3/h4-7,9H,1-3H3
InChIKeyVEFYCCCTNHVUOK-UHFFFAOYSA-N
XLogP3.93
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657756
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568404
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103568115
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The IUPAC name of 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (CID 103566735) is 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is COc1cc(C#N)cc(Oc2cc(Cl)nc(C(C)C)n2)c1.
What is the InChIKey of 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The InChIKey is VEFYCCCTNHVUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(2)15-18-13(16)7-14(19-15)21-12-5-10(8-17)4-11(6-12)20-3/h4-7,9H,1-3H3.
What are the key properties of 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile has a molecular weight of 303.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103566735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).