2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane

C26H32ClN5 — CID 142128206

IUPAC2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.CCCNc1ccccc1C(C)NC1=NC(c2ccccc2Cl)Nc2ncccc21
InChIInChI=1S/C24H26ClN5.C2H6/c1-3-14-26-21-13-7-5-9-17(21)16(2)28-24-19-11-8-15-27-22(19)29-23(30-24)18-10-4-6-12-20(18)25;1-2/h4-13,15-16,23,26H,3,14H2,1-2H3,(H,27,29)(H,28,30);1-2H3
InChIKeyVYCDBLFXVKQQGJ-UHFFFAOYSA-N
MW450.03 g/mol
LogP6.80
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane

2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane (PubChem CID 142128206) has the molecular formula C26H32ClN5 and a molecular weight of 450.03 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane
PubChem CID142128206
Molecular FormulaC26H32ClN5
Molecular Weight450.03 g/mol
Exact Mass449.23
IUPAC Name2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.CCCNc1ccccc1C(C)NC1=NC(c2ccccc2Cl)Nc2ncccc21
InChIInChI=1S/C24H26ClN5.C2H6/c1-3-14-26-21-13-7-5-9-17(21)16(2)28-24-19-11-8-15-27-22(19)29-23(30-24)18-10-4-6-12-20(18)25;1-2/h4-13,15-16,23,26H,3,14H2,1-2H3,(H,27,29)(H,28,30);1-2H3
InChIKeyVYCDBLFXVKQQGJ-UHFFFAOYSA-N
XLogP6.80
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.03
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethynylphenyl)-N-[1-[5-fluoro-2-(propylamino)phenyl]ethyl]-1,2-dihydroquinazolin-4-amine
CID 142127175
2-(2-chlorophenyl)-N-[1-(2-methylphenyl)ethenyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;pentane
CID 142125672
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
3,5-dichloro-2-N-propyl-6-N-(1-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102756051
2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine
CID 142126017
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-[1-[3,5-difluoro-2-(propylamino)phenyl]ethenyl]-2-(2-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-amine
CID 142126476
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane (CID 142128206) is 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane is CC.CCCNc1ccccc1C(C)NC1=NC(c2ccccc2Cl)Nc2ncccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane?
The InChIKey is VYCDBLFXVKQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5.C2H6/c1-3-14-26-21-13-7-5-9-17(21)16(2)28-24-19-11-8-15-27-22(19)29-23(30-24)18-10-4-6-12-20(18)25;1-2/h4-13,15-16,23,26H,3,14H2,1-2H3,(H,27,29)(H,28,30);1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane?
2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane has a molecular weight of 450.03 g/mol, XLogP of 6.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-[2-(propylamino)phenyl]ethyl]-1,2-dihydropyrido[2,3-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 142128206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).