4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

C22H20FN5O — CID 22112855

IUPAC4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1cc2c(Nc3ccc(OCc4cccc(F)c4)cc3)ncnc2cn1
InChIInChI=1S/C22H20FN5O/c1-28(2)21-11-19-20(12-24-21)25-14-26-22(19)27-17-6-8-18(9-7-17)29-13-15-4-3-5-16(23)10-15/h3-12,14H,13H2,1-2H3,(H,25,26,27)
InChIKeyIQJVEWGFUVNHPS-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.55
Rot. Bonds6

About 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 22112855) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID22112855
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1cc2c(Nc3ccc(OCc4cccc(F)c4)cc3)ncnc2cn1
InChIInChI=1S/C22H20FN5O/c1-28(2)21-11-19-20(12-24-21)25-14-26-22(19)27-17-6-8-18(9-7-17)29-13-15-4-3-5-16(23)10-15/h3-12,14H,13H2,1-2H3,(H,25,26,27)
InChIKeyIQJVEWGFUVNHPS-UHFFFAOYSA-N
XLogP4.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 22112825
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine
CID 141012706
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
(E)-4-(dimethylamino)-N-[4-[4-[(3-fluorophenyl)methoxy]anilino]-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]but-2-enamide
CID 122191935
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
5-[4-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]pyrido[3,4-d]pyrimidin-6-yl]furan-2-carbaldehyde
CID 87717624
N-[4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 10163319
4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
CID 155525820
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 24740099
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 22112855) is 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine is CN(C)c1cc2c(Nc3ccc(OCc4cccc(F)c4)cc3)ncnc2cn1.
What is the InChIKey of 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is IQJVEWGFUVNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-28(2)21-11-19-20(12-24-21)25-14-26-22(19)27-17-6-8-18(9-7-17)29-13-15-4-3-5-16(23)10-15/h3-12,14H,13H2,1-2H3,(H,25,26,27).
What are the key properties of 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 389.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 22112855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).