2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine

C44H39F3N10 — CID 143706604

IUPAC2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12.CC(C)Nc1nc(Nc2ccccc2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H19F2N5.C22H20FN5/c1-13(2)25-21-20-19(12-11-18(27-20)14-3-5-15(23)6-4-14)28-22(29-21)26-17-9-7-16(24)8-10-17;1-14(2)24-21-20-19(27-22(28-21)25-17-6-4-3-5-7-17)13-12-18(26-20)15-8-10-16(23)11-9-15/h3-13H,1-2H3,(H2,25,26,28,29);3-14H,1-2H3,(H2,24,25,27,28)
InChIKeyYDSPZZQDMOJMBT-UHFFFAOYSA-N
MW764.86 g/mol
LogP10.93
Rot. Bonds10

About 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine

2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 143706604) has the molecular formula C44H39F3N10 and a molecular weight of 764.86 g/mol. Its IUPAC name is 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID143706604
Molecular FormulaC44H39F3N10
Molecular Weight764.86 g/mol
Exact Mass764.33
IUPAC Name2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12.CC(C)Nc1nc(Nc2ccccc2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H19F2N5.C22H20FN5/c1-13(2)25-21-20-19(12-11-18(27-20)14-3-5-15(23)6-4-14)28-22(29-21)26-17-9-7-16(24)8-10-17;1-14(2)24-21-20-19(27-22(28-21)25-17-6-4-3-5-7-17)13-12-18(26-20)15-8-10-16(23)11-9-15/h3-13H,1-2H3,(H2,25,26,28,29);3-14H,1-2H3,(H2,24,25,27,28)
InChIKeyYDSPZZQDMOJMBT-UHFFFAOYSA-N
XLogP10.93
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.86
LogP ≤ 510.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
CID 134152755
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 86045434
4-ethoxy-6-(4-fluorophenyl)-N-pentan-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 69098748

Frequently Asked Questions

What is the IUPAC name of 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 143706604) is 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine is CC(C)Nc1nc(Nc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12.CC(C)Nc1nc(Nc2ccccc2)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is YDSPZZQDMOJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5.C22H20FN5/c1-13(2)25-21-20-19(12-11-18(27-20)14-3-5-15(23)6-4-14)28-22(29-21)26-17-9-7-16(24)8-10-17;1-14(2)24-21-20-19(27-22(28-21)25-17-6-4-3-5-7-17)13-12-18(26-20)15-8-10-16(23)11-9-15/h3-13H,1-2H3,(H2,25,26,28,29);3-14H,1-2H3,(H2,24,25,27,28).
What are the key properties of 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 764.86 g/mol, XLogP of 10.93, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 143706604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).