5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine

C20H24N6O — CID 97210458

IUPAC5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NC[C@H](c3ccncc3)N3CCOCC3)ncnc2n1
InChIInChI=1S/C20H24N6O/c1-14-11-15(2)25-20-18(14)19(23-13-24-20)22-12-17(16-3-5-21-6-4-16)26-7-9-27-10-8-26/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,22,23,24,25)/t17-/m1/s1
InChIKeyWJSITACYLSGHKZ-QGZVFWFLSA-N
MW364.45 g/mol
LogP2.52
Rot. Bonds5

About 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine

5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 97210458) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID97210458
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NC[C@H](c3ccncc3)N3CCOCC3)ncnc2n1
InChIInChI=1S/C20H24N6O/c1-14-11-15(2)25-20-18(14)19(23-13-24-20)22-12-17(16-3-5-21-6-4-16)26-7-9-27-10-8-26/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,22,23,24,25)/t17-/m1/s1
InChIKeyWJSITACYLSGHKZ-QGZVFWFLSA-N
XLogP2.52
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 97210458) is 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1cc(C)c2c(NC[C@H](c3ccncc3)N3CCOCC3)ncnc2n1.
What is the InChIKey of 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WJSITACYLSGHKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-11-15(2)25-20-18(14)19(23-13-24-20)22-12-17(16-3-5-21-6-4-16)26-7-9-27-10-8-26/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,22,23,24,25)/t17-/m1/s1.
What are the key properties of 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine?
5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 97210458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).