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

C24H29N5O2 — CID 57441855

IUPAC(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H29N5O2/c1-16-15-30-12-11-29(16)23-20-9-10-21(19-7-5-4-6-8-19)25-22(20)26-24(27-23)28-13-17(2)31-18(3)14-28/h4-10,16-18H,11-15H2,1-3H3/t16-,17-,18+/m0/s1
InChIKeyDHNYYLLBXSIDFH-OKZBNKHCSA-N
MW419.53 g/mol
LogP3.53
Rot. Bonds3

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

(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 57441855) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID57441855
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccccc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H29N5O2/c1-16-15-30-12-11-29(16)23-20-9-10-21(19-7-5-4-6-8-19)25-22(20)26-24(27-23)28-13-17(2)31-18(3)14-28/h4-10,16-18H,11-15H2,1-3H3/t16-,17-,18+/m0/s1
InChIKeyDHNYYLLBXSIDFH-OKZBNKHCSA-N
XLogP3.53
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 57441855) is (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine is C[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccccc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is DHNYYLLBXSIDFH-OKZBNKHCSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-15-30-12-11-29(16)23-20-9-10-21(19-7-5-4-6-8-19)25-22(20)26-24(27-23)28-13-17(2)31-18(3)14-28/h4-10,16-18H,11-15H2,1-3H3/t16-,17-,18+/m0/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 419.53 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 57441855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).