4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine

C19H17Cl2N3 — CID 70871060

IUPAC4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17Cl2N3/c1-2-11-22-19-23-17(13-3-7-15(20)8-4-13)12-18(24-19)14-5-9-16(21)10-6-14/h3-10,12H,2,11H2,1H3,(H,22,23,24)
InChIKeyKPQKBPBVRBRZAZ-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.94
Rot. Bonds5

About 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine

4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine (PubChem CID 70871060) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
PubChem CID70871060
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17Cl2N3/c1-2-11-22-19-23-17(13-3-7-15(20)8-4-13)12-18(24-19)14-5-9-16(21)10-6-14/h3-10,12H,2,11H2,1H3,(H,22,23,24)
InChIKeyKPQKBPBVRBRZAZ-UHFFFAOYSA-N
XLogP5.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine (CID 70871060) is 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine is CCCNc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine?
The InChIKey is KPQKBPBVRBRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c1-2-11-22-19-23-17(13-3-7-15(20)8-4-13)12-18(24-19)14-5-9-16(21)10-6-14/h3-10,12H,2,11H2,1H3,(H,22,23,24).
What are the key properties of 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine?
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine has a molecular weight of 358.27 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 70871060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).