2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine

C19H16N6 — CID 177147618

IUPAC2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1ccc(Nc2nc(Nc3ccccc3)c3cccnc3n2)cc1
InChIInChI=1S/C19H16N6/c20-13-8-10-15(11-9-13)23-19-24-17-16(7-4-12-21-17)18(25-19)22-14-5-2-1-3-6-14/h1-12H,20H2,(H2,21,22,23,24,25)
InChIKeyBLHNWPTVKDFOHK-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.09
Rot. Bonds4

About 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 177147618) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID177147618
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1ccc(Nc2nc(Nc3ccccc3)c3cccnc3n2)cc1
InChIInChI=1S/C19H16N6/c20-13-8-10-15(11-9-13)23-19-24-17-16(7-4-12-21-17)18(25-19)22-14-5-2-1-3-6-14/h1-12H,20H2,(H2,21,22,23,24,25)
InChIKeyBLHNWPTVKDFOHK-UHFFFAOYSA-N
XLogP4.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
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8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine
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2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 88568522
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
CID 117087219
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 118574790
N-phenylisoquinolin-1-amine
CID 613037
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 177147618) is 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine is Nc1ccc(Nc2nc(Nc3ccccc3)c3cccnc3n2)cc1.
What is the InChIKey of 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BLHNWPTVKDFOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c20-13-8-10-15(11-9-13)23-19-24-17-16(7-4-12-21-17)18(25-19)22-14-5-2-1-3-6-14/h1-12H,20H2,(H2,21,22,23,24,25).
What are the key properties of 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 328.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 177147618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).