(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine

C17H20N4O — CID 95225856

IUPAC(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
SMILESc1ccc([C@H]2CN(c3ncnc4c3CCNC4)CCO2)cc1
InChIInChI=1S/C17H20N4O/c1-2-4-13(5-3-1)16-11-21(8-9-22-16)17-14-6-7-18-10-15(14)19-12-20-17/h1-5,12,16,18H,6-11H2/t16-/m1/s1
InChIKeyNTUAFVWJSAGSPK-MRXNPFEDSA-N
MW296.37 g/mol
LogP1.70
Rot. Bonds2

About (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine

(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine (PubChem CID 95225856) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
PubChem CID95225856
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
SMILESc1ccc([C@H]2CN(c3ncnc4c3CCNC4)CCO2)cc1
InChIInChI=1S/C17H20N4O/c1-2-4-13(5-3-1)16-11-21(8-9-22-16)17-14-6-7-18-10-15(14)19-12-20-17/h1-5,12,16,18H,6-11H2/t16-/m1/s1
InChIKeyNTUAFVWJSAGSPK-MRXNPFEDSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95138636
4-[3-(3-chlorophenyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56757156
4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine
CID 117101715
4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56753040
7-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 139402711
2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
CID 52985652
[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
CID 56896849
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
2-phenyl-4-pyrido[2,3-b]pyrazin-6-ylmorpholine
CID 75368986
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94180497
2-phenylmorpholin-4-amine;hydrochloride
CID 54605145
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94032612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine (CID 95225856) is (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine is c1ccc([C@H]2CN(c3ncnc4c3CCNC4)CCO2)cc1.
What is the InChIKey of (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is NTUAFVWJSAGSPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-4-13(5-3-1)16-11-21(8-9-22-16)17-14-6-7-18-10-15(14)19-12-20-17/h1-5,12,16,18H,6-11H2/t16-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 296.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 95225856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).