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

C14H18N4O — CID 116895639

IUPAC2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
SMILESCc1cc(-c2ccc[nH]2)nc(CC2CNCCO2)n1
InChIInChI=1S/C14H18N4O/c1-10-7-13(12-3-2-4-16-12)18-14(17-10)8-11-9-15-5-6-19-11/h2-4,7,11,15-16H,5-6,8-9H2,1H3
InChIKeyLBYADCNKGXIABP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.31
Rot. Bonds3

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

2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine (PubChem CID 116895639) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
PubChem CID116895639
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
SMILESCc1cc(-c2ccc[nH]2)nc(CC2CNCCO2)n1
InChIInChI=1S/C14H18N4O/c1-10-7-13(12-3-2-4-16-12)18-14(17-10)8-11-9-15-5-6-19-11/h2-4,7,11,15-16H,5-6,8-9H2,1H3
InChIKeyLBYADCNKGXIABP-UHFFFAOYSA-N
XLogP1.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.31
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]morpholine
CID 116895553
4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893520
2-(1H-pyrrol-2-ylmethyl)morpholine
CID 116927846
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanenitrile
CID 116895123
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 82892741
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
CID 79817912
6-methoxy-2-methyl-7-(morpholin-2-ylmethyl)-3H-quinazolin-4-one
CID 175490030
4-methoxy-2-(morpholin-2-ylmethyl)naphthalen-1-ol
CID 70584076
2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434620

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine (CID 116895639) is 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine is Cc1cc(-c2ccc[nH]2)nc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine?
The InChIKey is LBYADCNKGXIABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-7-13(12-3-2-4-16-12)18-14(17-10)8-11-9-15-5-6-19-11/h2-4,7,11,15-16H,5-6,8-9H2,1H3.
What are the key properties of 2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine?
2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine has a molecular weight of 258.32 g/mol, XLogP of 1.31, 3 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]methyl]morpholine is sourced from PubChem (CID 116895639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).