6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile

C15H15ClN4 — CID 166229612

IUPAC6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
SMILESCC(C)(CNc1cc(C#N)ncn1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4/c1-15(2,11-4-3-5-12(16)6-11)9-18-14-7-13(8-17)19-10-20-14/h3-7,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyRNQKPHDADCOVBP-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.39
Rot. Bonds4

About 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile

6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile (PubChem CID 166229612) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
PubChem CID166229612
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
SMILESCC(C)(CNc1cc(C#N)ncn1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4/c1-15(2,11-4-3-5-12(16)6-11)9-18-14-7-13(8-17)19-10-20-14/h3-7,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyRNQKPHDADCOVBP-UHFFFAOYSA-N
XLogP3.39
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile (CID 166229612) is 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile is CC(C)(CNc1cc(C#N)ncn1)c1cccc(Cl)c1.
What is the InChIKey of 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is RNQKPHDADCOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-15(2,11-4-3-5-12(16)6-11)9-18-14-7-13(8-17)19-10-20-14/h3-7,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile?
6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 286.77 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 166229612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).