4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine

C22H25ClFN7O — CID 56982923

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2ncnc3cnc(N(C4CCCCC4)N4CCOCC4)nc23)cc1Cl
InChIInChI=1S/C22H25ClFN7O/c23-17-12-15(6-7-18(17)24)28-21-20-19(26-14-27-21)13-25-22(29-20)31(16-4-2-1-3-5-16)30-8-10-32-11-9-30/h6-7,12-14,16H,1-5,8-11H2,(H,26,27,28)
InChIKeyGNGPVMMCIWUUCD-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.34
Rot. Bonds5

About 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 56982923) has the molecular formula C22H25ClFN7O and a molecular weight of 457.94 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID56982923
Molecular FormulaC22H25ClFN7O
Molecular Weight457.94 g/mol
Exact Mass457.18
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2ncnc3cnc(N(C4CCCCC4)N4CCOCC4)nc23)cc1Cl
InChIInChI=1S/C22H25ClFN7O/c23-17-12-15(6-7-18(17)24)28-21-20-19(26-14-27-21)13-25-22(29-20)31(16-4-2-1-3-5-16)30-8-10-32-11-9-30/h6-7,12-14,16H,1-5,8-11H2,(H,26,27,28)
InChIKeyGNGPVMMCIWUUCD-UHFFFAOYSA-N
XLogP4.34
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-cyclobutyloxypyrimido[5,4-d]pyrimidin-4-amine
CID 19709423
N-(3-chloro-4-fluorophenyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946241
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 6918508
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 18946180
N-(3-chloro-4-fluorophenyl)-6-(oxolan-3-yloxy)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946137
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine
CID 10812706
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 18967331
tert-butyl N-[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-N-piperidin-4-ylcarbamate
CID 67613244
N-(3-chloro-4-fluorophenyl)-6-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyrimido[5,4-d]pyrimidin-4-amine
CID 18946175
2-[carboxymethyl-[[1-[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-3-yl]methyl]amino]acetic acid
CID 54284560

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine (CID 56982923) is 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine is Fc1ccc(Nc2ncnc3cnc(N(C4CCCCC4)N4CCOCC4)nc23)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is GNGPVMMCIWUUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN7O/c23-17-12-15(6-7-18(17)24)28-21-20-19(26-14-27-21)13-25-22(29-20)31(16-4-2-1-3-5-16)30-8-10-32-11-9-30/h6-7,12-14,16H,1-5,8-11H2,(H,26,27,28).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 457.94 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-N-cyclohexyl-6-N-morpholin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 56982923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).