N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine

C21H22ClF2N5O — CID 10812706

IUPACN-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(F)nc23)cc1Cl
InChIInChI=1S/C21H22ClF2N5O/c22-16-12-15(4-5-17(16)23)27-21-19-18(25-13-26-21)11-14(20(24)28-19)3-1-2-6-29-7-9-30-10-8-29/h4-5,11-13H,1-3,6-10H2,(H,25,26,27)
InChIKeyZEPAONSNMYEHFB-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.35
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 10812706) has the molecular formula C21H22ClF2N5O and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID10812706
Molecular FormulaC21H22ClF2N5O
Molecular Weight433.89 g/mol
Exact Mass433.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(F)nc23)cc1Cl
InChIInChI=1S/C21H22ClF2N5O/c22-16-12-15(4-5-17(16)23)27-21-19-18(25-13-26-21)11-14(20(24)28-19)3-1-2-6-29-7-9-30-10-8-29/h4-5,11-13H,1-3,6-10H2,(H,25,26,27)
InChIKeyZEPAONSNMYEHFB-UHFFFAOYSA-N
XLogP4.35
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-[4-(3-chloro-4-fluoroanilino)-7-[(E)-4-morpholin-4-ylbut-1-enyl]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 10528818
N-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 127049195
N-(3-chloro-4-fluorophenyl)-7-ethyl-6-(4-piperazin-1-ylbutyl)quinazolin-4-amine
CID 167034840
N-(3-chloro-4-fluorophenyl)-6-cyclopentyloxy-7-(4-piperidin-1-ylbutyl)quinazolin-4-amine
CID 142811059
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropylperoxy)quinazolin-4-amine
CID 174485764
N-(3-chloro-4-fluorophenyl)-6-[(E)-5-morpholin-4-ylpent-1-enyl]sulfonylpyrido[3,4-d]pyrimidin-4-amine
CID 18176148
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4,4-difluoro-7-morpholin-4-ylhept-2-enamide
CID 54292327
butanoic acid;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71584867
N-[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4,4-difluoro-7-morpholin-4-ylhept-2-enamide
CID 57118656

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine (CID 10812706) is N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(F)nc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ZEPAONSNMYEHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF2N5O/c22-16-12-15(4-5-17(16)23)27-21-19-18(25-13-26-21)11-14(20(24)28-19)3-1-2-6-29-7-9-30-10-8-29/h4-5,11-13H,1-3,6-10H2,(H,25,26,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 433.89 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-fluoro-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10812706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).