[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone

C17H19N5O2 — CID 136564566

IUPAC[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone
SMILESCn1cc(C2(C)CN(C(=O)c3cc4cccn4cn3)CCO2)cn1
InChIInChI=1S/C17H19N5O2/c1-17(13-9-19-20(2)10-13)11-21(6-7-24-17)16(23)15-8-14-4-3-5-22(14)12-18-15/h3-5,8-10,12H,6-7,11H2,1-2H3
InChIKeyXBRMCRQYIZMGGR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.46
Rot. Bonds2

About [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone

[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone (PubChem CID 136564566) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone
PubChem CID136564566
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone
SMILESCn1cc(C2(C)CN(C(=O)c3cc4cccn4cn3)CCO2)cn1
InChIInChI=1S/C17H19N5O2/c1-17(13-9-19-20(2)10-13)11-21(6-7-24-17)16(23)15-8-14-4-3-5-22(14)12-18-15/h3-5,8-10,12H,6-7,11H2,1-2H3
InChIKeyXBRMCRQYIZMGGR-UHFFFAOYSA-N
XLogP1.46
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
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CID 97090713
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 97099387
[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942831
N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969911
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969637
3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119900547
N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
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(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
CID 97226347
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
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(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone?
The IUPAC name of [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone (CID 136564566) is [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone.
What is the SMILES notation for [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone?
The canonical SMILES for [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone is Cn1cc(C2(C)CN(C(=O)c3cc4cccn4cn3)CCO2)cn1.
What is the InChIKey of [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone?
The InChIKey is XBRMCRQYIZMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(13-9-19-20(2)10-13)11-21(6-7-24-17)16(23)15-8-14-4-3-5-22(14)12-18-15/h3-5,8-10,12H,6-7,11H2,1-2H3.
What are the key properties of [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone?
[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone has a molecular weight of 325.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone is sourced from PubChem (CID 136564566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).