N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide

C13H17N5O2 — CID 166602309

IUPACN-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2ncnc3c2ccn3C)CCO1
InChIInChI=1S/C13H17N5O2/c1-14-13(19)10-7-18(5-6-20-10)12-9-3-4-17(2)11(9)15-8-16-12/h3-4,8,10H,5-7H2,1-2H3,(H,14,19)
InChIKeyRXOPNAZGAAQADI-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.08
Rot. Bonds2

About N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide

N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide (PubChem CID 166602309) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
PubChem CID166602309
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2ncnc3c2ccn3C)CCO1
InChIInChI=1S/C13H17N5O2/c1-14-13(19)10-7-18(5-6-20-10)12-9-3-4-17(2)11(9)15-8-16-12/h3-4,8,10H,5-7H2,1-2H3,(H,14,19)
InChIKeyRXOPNAZGAAQADI-UHFFFAOYSA-N
XLogP-0.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{7H-Pyrrolo[2,3-d]pyrimidin-4-yl}morpholine
CID 9815628
2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
CID 58293327
Tofacitinib metabolite M2
CID 49856321
Pfe-pkis 34
CID 22282869
2,4-Di-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 68195106
[(2S)-1-oxo-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-2-yl] acetate
CID 58293305
(2S)-2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 58293332
(2R)-2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 58293410
US9617258, Example 19
CID 118116011
US9617258, Example 78
CID 118115774
US9617258, Example 77
CID 118115977
N-(2-ethoxyethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 44381078

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide (CID 166602309) is N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide is CNC(=O)C1CN(c2ncnc3c2ccn3C)CCO1.
What is the InChIKey of N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The InChIKey is RXOPNAZGAAQADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-14-13(19)10-7-18(5-6-20-10)12-9-3-4-17(2)11(9)15-8-16-12/h3-4,8,10H,5-7H2,1-2H3,(H,14,19).
What are the key properties of N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 166602309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).