(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C26H27BrN4O2 — CID 42666083

IUPAC(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC1CN(c2nc(-c3ccccc3)nc3c2CN(C(=O)c2cccc(Br)c2)CC3)CC(C)O1
InChIInChI=1S/C26H27BrN4O2/c1-17-14-31(15-18(2)33-17)25-22-16-30(26(32)20-9-6-10-21(27)13-20)12-11-23(22)28-24(29-25)19-7-4-3-5-8-19/h3-10,13,17-18H,11-12,14-16H2,1-2H3
InChIKeyDKAWUUWDMOSPCG-UHFFFAOYSA-N
MW507.43 g/mol
LogP4.72
Rot. Bonds3

About (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 42666083) has the molecular formula C26H27BrN4O2 and a molecular weight of 507.43 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID42666083
Molecular FormulaC26H27BrN4O2
Molecular Weight507.43 g/mol
Exact Mass506.13
IUPAC Name(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC1CN(c2nc(-c3ccccc3)nc3c2CN(C(=O)c2cccc(Br)c2)CC3)CC(C)O1
InChIInChI=1S/C26H27BrN4O2/c1-17-14-31(15-18(2)33-17)25-22-16-30(26(32)20-9-6-10-21(27)13-20)12-11-23(22)28-24(29-25)19-7-4-3-5-8-19/h3-10,13,17-18H,11-12,14-16H2,1-2H3
InChIKeyDKAWUUWDMOSPCG-UHFFFAOYSA-N
XLogP4.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

1-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 42786844
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 7271579
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499135
1-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one
CID 42786864
4-(2,6-dimethylmorpholin-4-yl)-N-(3-ethylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786966
(3-chlorophenyl)-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7294401
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786956
[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42786487
(4-bromophenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786935
N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786432
[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-nitrophenyl)methanone
CID 42787798
(4-tert-butylphenyl)-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7237350

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 42666083) is (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC1CN(c2nc(-c3ccccc3)nc3c2CN(C(=O)c2cccc(Br)c2)CC3)CC(C)O1.
What is the InChIKey of (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is DKAWUUWDMOSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O2/c1-17-14-31(15-18(2)33-17)25-22-16-30(26(32)20-9-6-10-21(27)13-20)12-11-23(22)28-24(29-25)19-7-4-3-5-8-19/h3-10,13,17-18H,11-12,14-16H2,1-2H3.
What are the key properties of (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 507.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 42666083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).