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

C22H23FN4O2 — CID 20960512

IUPACN-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccc(F)cc2)C3)c1
InChIInChI=1S/C22H23FN4O2/c1-28-18-7-8-21(29-2)20(11-18)26-22-24-12-16-14-27(10-9-19(16)25-22)13-15-3-5-17(23)6-4-15/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,26)
InChIKeyXMYMOTFOMCGEMK-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.93
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960512) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960512
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccc(F)cc2)C3)c1
InChIInChI=1S/C22H23FN4O2/c1-28-18-7-8-21(29-2)20(11-18)26-22-24-12-16-14-27(10-9-19(16)25-22)13-15-3-5-17(23)6-4-15/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,26)
InChIKeyXMYMOTFOMCGEMK-UHFFFAOYSA-N
XLogP3.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960513
6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960315
6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960392
N-(2-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960331
N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 146059804
6-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345905
N-(4-methoxyphenyl)-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960592
N-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345928
6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960493
6-[(3-bromophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960358
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(2,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960580

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960512) is N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccc(F)cc2)C3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is XMYMOTFOMCGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-28-18-7-8-21(29-2)20(11-18)26-22-24-12-16-14-27(10-9-19(16)25-22)13-15-3-5-17(23)6-4-15/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 394.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).