N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine

C18H11ClFN5 — CID 19709347

IUPACN-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3cnc(-c4ccccc4)nc23)cc1Cl
InChIInChI=1S/C18H11ClFN5/c19-13-8-12(6-7-14(13)20)24-18-16-15(22-10-23-18)9-21-17(25-16)11-4-2-1-3-5-11/h1-10H,(H,22,23,24)
InChIKeyJYNBNOXPJUCIEU-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.62
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 19709347) has the molecular formula C18H11ClFN5 and a molecular weight of 351.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID19709347
Molecular FormulaC18H11ClFN5
Molecular Weight351.77 g/mol
Exact Mass351.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3cnc(-c4ccccc4)nc23)cc1Cl
InChIInChI=1S/C18H11ClFN5/c19-13-8-12(6-7-14(13)20)24-18-16-15(22-10-23-18)9-21-17(25-16)11-4-2-1-3-5-11/h1-10H,(H,22,23,24)
InChIKeyJYNBNOXPJUCIEU-UHFFFAOYSA-N
XLogP4.62
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Falnidamol
CID 6918508
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Bms-279700
CID 9844320
EGFR/ErbB-2/ErbB-4 inhibitor
CID 11566580
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine (CID 19709347) is N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3cnc(-c4ccccc4)nc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is JYNBNOXPJUCIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5/c19-13-8-12(6-7-14(13)20)24-18-16-15(22-10-23-18)9-21-17(25-16)11-4-2-1-3-5-11/h1-10H,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 351.77 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-phenylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 19709347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).