1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine

C14H16ClN3 — CID 82666280

IUPAC1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3/c1-14(2,16)9-13-17-8-7-12(18-13)10-3-5-11(15)6-4-10/h3-8H,9,16H2,1-2H3
InChIKeyZXFIWQWENWGBPM-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.08
Rot. Bonds3

About 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine

1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine (PubChem CID 82666280) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
PubChem CID82666280
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3/c1-14(2,16)9-13-17-8-7-12(18-13)10-3-5-11(15)6-4-10/h3-8H,9,16H2,1-2H3
InChIKeyZXFIWQWENWGBPM-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine (CID 82666280) is 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine is CC(C)(N)Cc1nccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine?
The InChIKey is ZXFIWQWENWGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-14(2,16)9-13-17-8-7-12(18-13)10-3-5-11(15)6-4-10/h3-8H,9,16H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine?
1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 82666280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).