(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C24H31N7O — CID 157045364

IUPAC(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc(C3=CCC(C)(C)CC3)c2nc1C
InChIInChI=1S/C24H31N7O/c1-15-16(2)27-22-21(26-15)20(17-6-8-24(3,4)9-7-17)28-23(29-22)31-10-11-32-19(14-31)18-12-25-30(5)13-18/h6,12-13,19H,7-11,14H2,1-5H3/t19-/m1/s1
InChIKeyXCIIOORQNMKNRY-LJQANCHMSA-N
MW433.56 g/mol
LogP3.94
Rot. Bonds3

About (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157045364) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157045364
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc(C3=CCC(C)(C)CC3)c2nc1C
InChIInChI=1S/C24H31N7O/c1-15-16(2)27-22-21(26-15)20(17-6-8-24(3,4)9-7-17)28-23(29-22)31-10-11-32-19(14-31)18-12-25-30(5)13-18/h6,12-13,19H,7-11,14H2,1-5H3/t19-/m1/s1
InChIKeyXCIIOORQNMKNRY-LJQANCHMSA-N
XLogP3.94
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280
4-(6,7-dimethylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045930
(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 166834526
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347
(2R)-4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)morpholine
CID 166122963
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157045364) is (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc(C3=CCC(C)(C)CC3)c2nc1C.
What is the InChIKey of (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is XCIIOORQNMKNRY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N7O/c1-15-16(2)27-22-21(26-15)20(17-6-8-24(3,4)9-7-17)28-23(29-22)31-10-11-32-19(14-31)18-12-25-30(5)13-18/h6,12-13,19H,7-11,14H2,1-5H3/t19-/m1/s1.
What are the key properties of (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 433.56 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157045364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).