(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine

C18H22N4O — CID 95138636

IUPAC(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine
SMILESCN1CCc2ncnc(N3CCO[C@H](c4ccccc4)C3)c2C1
InChIInChI=1S/C18H22N4O/c1-21-8-7-16-15(11-21)18(20-13-19-16)22-9-10-23-17(12-22)14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3/t17-/m0/s1
InChIKeyOEXDRPMHVFEUCP-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.04
Rot. Bonds2

About (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine

(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine (PubChem CID 95138636) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine
PubChem CID95138636
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine
SMILESCN1CCc2ncnc(N3CCO[C@H](c4ccccc4)C3)c2C1
InChIInChI=1S/C18H22N4O/c1-21-8-7-16-15(11-21)18(20-13-19-16)22-9-10-23-17(12-22)14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3/t17-/m0/s1
InChIKeyOEXDRPMHVFEUCP-KRWDZBQOSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
CID 95225856
4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129418440
2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
CID 52985652
6-methyl-4-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 95145907
(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090
[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 95138634
2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 86808286
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129482017
2-phenyl-4-pyrido[2,3-b]pyrazin-6-ylmorpholine
CID 75368986
6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 134714748

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine?
The IUPAC name of (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine (CID 95138636) is (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine?
The canonical SMILES for (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine is CN1CCc2ncnc(N3CCO[C@H](c4ccccc4)C3)c2C1.
What is the InChIKey of (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine?
The InChIKey is OEXDRPMHVFEUCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21-8-7-16-15(11-21)18(20-13-19-16)22-9-10-23-17(12-22)14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3/t17-/m0/s1.
What are the key properties of (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine?
(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine has a molecular weight of 310.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine is sourced from PubChem (CID 95138636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).