(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C20H23F2N5O2 — CID 46072634

IUPAC(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1c(F)cccc1F)CC2
InChIInChI=1S/C20H23F2N5O2/c1-25(2)18-13-12-27(19(28)17-14(21)4-3-5-15(17)22)7-6-16(13)23-20(24-18)26-8-10-29-11-9-26/h3-5H,6-12H2,1-2H3
InChIKeyFMWKAGSWLLDJBK-UHFFFAOYSA-N
MW403.43 g/mol
LogP1.86
Rot. Bonds3

About (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 46072634) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID46072634
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC Name(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1c(F)cccc1F)CC2
InChIInChI=1S/C20H23F2N5O2/c1-25(2)18-13-12-27(19(28)17-14(21)4-3-5-15(17)22)7-6-16(13)23-20(24-18)26-8-10-29-11-9-26/h3-5H,6-12H2,1-2H3
InChIKeyFMWKAGSWLLDJBK-UHFFFAOYSA-N
XLogP1.86
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-difluorophenyl)-[4-(2-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46073623
[4-(dimethylamino)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-fluorophenyl)methanone
CID 46051094
(2,6-difluorophenyl)-[4-[ethyl(methyl)amino]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42870833
[4-(dimethylamino)-2-[4-(4-methylphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
CID 46050250
1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855724
[4-(dimethylamino)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methylphenyl)methanone
CID 46051098
[4-(dimethylamino)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42855700
(2,4-difluorophenyl)-[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050656
[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855733
[4-(dimethylamino)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46160361
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050646
(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855500

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 46072634) is (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1c(F)cccc1F)CC2.
What is the InChIKey of (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is FMWKAGSWLLDJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-25(2)18-13-12-27(19(28)17-14(21)4-3-5-15(17)22)7-6-16(13)23-20(24-18)26-8-10-29-11-9-26/h3-5H,6-12H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 403.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 46072634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).