N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C21H26BrN5O2 — CID 42786432

IUPACN-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)Nc1cccc(Br)c1)CC2
InChIInChI=1S/C21H26BrN5O2/c1-13-10-27(11-14(2)29-13)20-18-12-26(8-7-19(18)23-15(3)24-20)21(28)25-17-6-4-5-16(22)9-17/h4-6,9,13-14H,7-8,10-12H2,1-3H3,(H,25,28)
InChIKeyWBSVJFNILUHKMG-UHFFFAOYSA-N
MW460.38 g/mol
LogP3.75
Rot. Bonds2

About N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42786432) has the molecular formula C21H26BrN5O2 and a molecular weight of 460.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42786432
Molecular FormulaC21H26BrN5O2
Molecular Weight460.38 g/mol
Exact Mass459.13
IUPAC NameN-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)Nc1cccc(Br)c1)CC2
InChIInChI=1S/C21H26BrN5O2/c1-13-10-27(11-14(2)29-13)20-18-12-26(8-7-19(18)23-15(3)24-20)21(28)25-17-6-4-5-16(22)9-17/h4-6,9,13-14H,7-8,10-12H2,1-3H3,(H,25,28)
InChIKeyWBSVJFNILUHKMG-UHFFFAOYSA-N
XLogP3.75
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499166
4-(2,6-dimethylmorpholin-4-yl)-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786422
N-(4-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46126799
N-(2-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786431
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7495576
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7262349
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786443
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
(3-bromophenyl)-[4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42666083
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 42786458
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 42786456

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42786432) is N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)Nc1cccc(Br)c1)CC2.
What is the InChIKey of N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WBSVJFNILUHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN5O2/c1-13-10-27(11-14(2)29-13)20-18-12-26(8-7-19(18)23-15(3)24-20)21(28)25-17-6-4-5-16(22)9-17/h4-6,9,13-14H,7-8,10-12H2,1-3H3,(H,25,28).
What are the key properties of N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 460.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42786432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).