2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile

C15H16N4O — CID 163348210

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
SMILESCOc1ccc(CCN(C)c2nccc(C#N)n2)cc1
InChIInChI=1S/C15H16N4O/c1-19(15-17-9-7-13(11-16)18-15)10-8-12-3-5-14(20-2)6-4-12/h3-7,9H,8,10H2,1-2H3
InChIKeyWEFSHMNTVYYIGA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile

2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile (PubChem CID 163348210) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
PubChem CID163348210
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
SMILESCOc1ccc(CCN(C)c2nccc(C#N)n2)cc1
InChIInChI=1S/C15H16N4O/c1-19(15-17-9-7-13(11-16)18-15)10-8-12-3-5-14(20-2)6-4-12/h3-7,9H,8,10H2,1-2H3
InChIKeyWEFSHMNTVYYIGA-UHFFFAOYSA-N
XLogP2.04
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile (CID 163348210) is 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile is COc1ccc(CCN(C)c2nccc(C#N)n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile?
The InChIKey is WEFSHMNTVYYIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(15-17-9-7-13(11-16)18-15)10-8-12-3-5-14(20-2)6-4-12/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile?
2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 163348210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).