2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

C12H16N4O — CID 18008420

IUPAC2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESCC1CN(c2ncnc3[nH]ccc23)CC(C)O1
InChIInChI=1S/C12H16N4O/c1-8-5-16(6-9(2)17-8)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyLDFGITIRBMZIRF-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.57
Rot. Bonds1

About 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine

2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 18008420) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID18008420
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESCC1CN(c2ncnc3[nH]ccc23)CC(C)O1
InChIInChI=1S/C12H16N4O/c1-8-5-16(6-9(2)17-8)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyLDFGITIRBMZIRF-UHFFFAOYSA-N
XLogP1.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2,2-difluoroethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 138000891
4-(2,3,4-trimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 146076314
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
(3S,4S)-4-propyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70787983
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-oxazepan-6-yl]methanol
CID 70704970
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
(1S,5R)-9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155912657
(3aR,7aS)-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138386678
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67251949
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961881

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine (CID 18008420) is 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is CC1CN(c2ncnc3[nH]ccc23)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is LDFGITIRBMZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-5-16(6-9(2)17-8)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine?
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 232.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 18008420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).