4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

C18H22N6O — CID 135336168

IUPAC4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C18H22N6O/c1-10-8-24(9-11(2)25-10)18-16-14(13-4-5-20-15(19)6-13)7-21-17(16)22-12(3)23-18/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20)(H,21,22,23)/t10-,11+
InChIKeyGRWHPNCFJDMVTQ-PHIMTYICSA-N
MW338.42 g/mol
LogP2.52
Rot. Bonds2

About 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 135336168) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
PubChem CID135336168
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C18H22N6O/c1-10-8-24(9-11(2)25-10)18-16-14(13-4-5-20-15(19)6-13)7-21-17(16)22-12(3)23-18/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20)(H,21,22,23)/t10-,11+
InChIKeyGRWHPNCFJDMVTQ-PHIMTYICSA-N
XLogP2.52
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (CID 135336168) is 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is GRWHPNCFJDMVTQ-PHIMTYICSA-N. The full InChI is InChI=1S/C18H22N6O/c1-10-8-24(9-11(2)25-10)18-16-14(13-4-5-20-15(19)6-13)7-21-17(16)22-12(3)23-18/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20)(H,21,22,23)/t10-,11+.
What are the key properties of 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 135336168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).