5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine

C18H21N5O — CID 58073678

IUPAC5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C18H21N5O/c1-12-9-23(10-13(2)24-12)18-16(14(3)21-11-22-18)6-4-15-5-7-17(19)20-8-15/h5,7-8,11-13H,9-10H2,1-3H3,(H2,19,20)/t12-,13+
InChIKeyBTQGTEOACTXARD-BETUJISGSA-N
MW323.40 g/mol
LogP1.78
Rot. Bonds1

About 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073678) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073678
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C18H21N5O/c1-12-9-23(10-13(2)24-12)18-16(14(3)21-11-22-18)6-4-15-5-7-17(19)20-8-15/h5,7-8,11-13H,9-10H2,1-3H3,(H2,19,20)/t12-,13+
InChIKeyBTQGTEOACTXARD-BETUJISGSA-N
XLogP1.78
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073678) is 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine is Cc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is BTQGTEOACTXARD-BETUJISGSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-9-23(10-13(2)24-12)18-16(14(3)21-11-22-18)6-4-15-5-7-17(19)20-8-15/h5,7-8,11-13H,9-10H2,1-3H3,(H2,19,20)/t12-,13+.
What are the key properties of 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).