N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C22H22F2N4O — CID 46345940

IUPACN-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCCOc1ccccc1CN1CCc2nc(Nc3ccc(F)cc3F)ncc2C1
InChIInChI=1S/C22H22F2N4O/c1-2-29-21-6-4-3-5-15(21)13-28-10-9-19-16(14-28)12-25-22(26-19)27-20-8-7-17(23)11-18(20)24/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,25,26,27)
InChIKeyFUEKUOWPJPBETM-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.46
Rot. Bonds6

About N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 46345940) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID46345940
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC NameN-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCCOc1ccccc1CN1CCc2nc(Nc3ccc(F)cc3F)ncc2C1
InChIInChI=1S/C22H22F2N4O/c1-2-29-21-6-4-3-5-15(21)13-28-10-9-19-16(14-28)12-25-22(26-19)27-20-8-7-17(23)11-18(20)24/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,25,26,27)
InChIKeyFUEKUOWPJPBETM-UHFFFAOYSA-N
XLogP4.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345928
6-[(2-ethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929368
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960512
N-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960551
N-(2-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960331
N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345968
6-[(3-ethoxyphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960622
6-[(2-ethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960753
6-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345905
6-[(2,5-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928738
2-(4-chlorophenyl)-6-[(2,3-diethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928248
6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929342

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 46345940) is N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is CCOc1ccccc1CN1CCc2nc(Nc3ccc(F)cc3F)ncc2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is FUEKUOWPJPBETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-2-29-21-6-4-3-5-15(21)13-28-10-9-19-16(14-28)12-25-22(26-19)27-20-8-7-17(23)11-18(20)24/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,25,26,27).
What are the key properties of N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 396.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-[(2-ethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46345940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).