2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane

C27H31ClN4 — CID 142125672

IUPAC2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane
SMILESC=C(NC1=NC(c2ccccc2Cl)Nc2ncccc21)c1ccccc1C.CCCCC
InChIInChI=1S/C22H19ClN4.C5H12/c1-14-8-3-4-9-16(14)15(2)25-22-18-11-7-13-24-20(18)26-21(27-22)17-10-5-6-12-19(17)23;1-3-5-4-2/h3-13,21H,2H2,1H3,(H,24,26)(H,25,27);3-5H2,1-2H3
InChIKeyVASWBDIJPSDPOF-UHFFFAOYSA-N
MW447.03 g/mol
LogP7.37
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane

2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane (PubChem CID 142125672) has the molecular formula C27H31ClN4 and a molecular weight of 447.03 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane
PubChem CID142125672
Molecular FormulaC27H31ClN4
Molecular Weight447.03 g/mol
Exact Mass446.22
IUPAC Name2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane
SMILESC=C(NC1=NC(c2ccccc2Cl)Nc2ncccc21)c1ccccc1C.CCCCC
InChIInChI=1S/C22H19ClN4.C5H12/c1-14-8-3-4-9-16(14)15(2)25-22-18-11-7-13-24-20(18)26-21(27-22)17-10-5-6-12-19(17)23;1-3-5-4-2/h3-13,21H,2H2,1H3,(H,24,26)(H,25,27);3-5H2,1-2H3
InChIKeyVASWBDIJPSDPOF-UHFFFAOYSA-N
XLogP7.37
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.03
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane (CID 142125672) is 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane is C=C(NC1=NC(c2ccccc2Cl)Nc2ncccc21)c1ccccc1C.CCCCC.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane?
The InChIKey is VASWBDIJPSDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4.C5H12/c1-14-8-3-4-9-16(14)15(2)25-22-18-11-7-13-24-20(18)26-21(27-22)17-10-5-6-12-19(17)23;1-3-5-4-2/h3-13,21H,2H2,1H3,(H,24,26)(H,25,27);3-5H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane?
2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane has a molecular weight of 447.03 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane is sourced from PubChem (CID 142125672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).