[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone

C22H29N5O3 — CID 42855733

IUPAC[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
SMILESCCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C22H29N5O3/c1-4-25(2)20-18-15-27(21(28)16-5-7-17(29-3)8-6-16)10-9-19(18)23-22(24-20)26-11-13-30-14-12-26/h5-8H,4,9-15H2,1-3H3
InChIKeyYWIDWZMMLUQZOL-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.98
Rot. Bonds5

About [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone

[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone (PubChem CID 42855733) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
PubChem CID42855733
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
SMILESCCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C22H29N5O3/c1-4-25(2)20-18-15-27(21(28)16-5-7-17(29-3)8-6-16)10-9-19(18)23-22(24-20)26-11-13-30-14-12-26/h5-8H,4,9-15H2,1-3H3
InChIKeyYWIDWZMMLUQZOL-UHFFFAOYSA-N
XLogP1.98
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-3-nitrophenyl)methanone
CID 42870829
[4-(dimethylamino)-2-[4-(4-methylphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855403
[4-[ethyl(methyl)amino]-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46050709
[4-[ethyl(methyl)amino]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 42855770
(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46072634
1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855724
(4-methoxyphenyl)-[2-[(3-methoxyphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42784884
(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
(3,5-dimethoxyphenyl)-[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871255
[4-(3-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42871071
[2,4-bis(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855494
(3,4-dimethoxyphenyl)-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855709

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone (CID 42855733) is [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone is CCN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1ccc(OC)cc1)CC2.
What is the InChIKey of [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone?
The InChIKey is YWIDWZMMLUQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-4-25(2)20-18-15-27(21(28)16-5-7-17(29-3)8-6-16)10-9-19(18)23-22(24-20)26-11-13-30-14-12-26/h5-8H,4,9-15H2,1-3H3.
What are the key properties of [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone?
[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone has a molecular weight of 411.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 42855733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).