2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine

C13H16N4O — CID 116895553

IUPAC2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(-c2ccc[nH]2)nc(C2CNCCO2)n1
InChIInChI=1S/C13H16N4O/c1-9-7-11(10-3-2-4-15-10)17-13(16-9)12-8-14-5-6-18-12/h2-4,7,12,14-15H,5-6,8H2,1H3
InChIKeyRNJIGQWXWKZEIR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.44
Rot. Bonds2

About 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine

2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 116895553) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine
PubChem CID116895553
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(-c2ccc[nH]2)nc(C2CNCCO2)n1
InChIInChI=1S/C13H16N4O/c1-9-7-11(10-3-2-4-15-10)17-13(16-9)12-8-14-5-6-18-12/h2-4,7,12,14-15H,5-6,8H2,1H3
InChIKeyRNJIGQWXWKZEIR-UHFFFAOYSA-N
XLogP1.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
CID 116895639
2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
(2R)-2-(5-methyl-1H-pyrazol-3-yl)morpholine
CID 96740317
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893520
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 86586429
2-pyridin-2-ylmorpholine
CID 19353403
2-(2-ethyl-1H-pyrrol-3-yl)morpholine
CID 174889160
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
2-cinnolin-3-ylmorpholine
CID 116988006
1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol
CID 21155255

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine (CID 116895553) is 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine is Cc1cc(-c2ccc[nH]2)nc(C2CNCCO2)n1.
What is the InChIKey of 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is RNJIGQWXWKZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-7-11(10-3-2-4-15-10)17-13(16-9)12-8-14-5-6-18-12/h2-4,7,12,14-15H,5-6,8H2,1H3.
What are the key properties of 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine?
2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 116895553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).