(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine

C24H28N6O4 — CID 59703379

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc([N+](=O)[O-])cc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H28N6O4/c1-15-14-33-11-10-29(15)23-20-8-9-21(18-4-6-19(7-5-18)30(31)32)25-22(20)26-24(27-23)28-12-16(2)34-17(3)13-28/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeySHDLLCDKRPCTFH-YESZJQIVSA-N
MW464.53 g/mol
LogP3.44
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 59703379) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID59703379
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc([N+](=O)[O-])cc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H28N6O4/c1-15-14-33-11-10-29(15)23-20-8-9-21(18-4-6-19(7-5-18)30(31)32)25-22(20)26-24(27-23)28-12-16(2)34-17(3)13-28/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeySHDLLCDKRPCTFH-YESZJQIVSA-N
XLogP3.44
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(2-(2-(6-(Pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706604
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 46882231
(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 57441855
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
CID 57442001
2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol
CID 126601773
N-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]methanesulfonamide
CID 25262629
4-[6-Methyl-2-(4-nitrophenyl)-4-pyrimidinyl]morpholine
CID 867853
N,N-bis(2-methoxyethyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1566142
N-methyl-N-(1-methylpiperidin-4-yl)-2-(4-nitrophenyl)quinazolin-4-amine hydrochloride
CID 2790827
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-N-phenylpyrido[2,3-d]pyrimidin-7-amine
CID 46882191
(2R,6S)-2,6-dimethyl-4-(4-morpholin-4-yl-7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 46882230
2-[[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
CID 71560030

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 59703379) is (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine is C[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc([N+](=O)[O-])cc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is SHDLLCDKRPCTFH-YESZJQIVSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15-14-33-11-10-29(15)23-20-8-9-21(18-4-6-19(7-5-18)30(31)32)25-22(20)26-24(27-23)28-12-16(2)34-17(3)13-28/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 464.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 59703379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).