[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C15H22N4O2 — CID 165434655

IUPAC[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ncnc(N2CCC(C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C15H22N4O2/c1-11-12(2)16-10-17-14(11)19-4-3-13(9-19)15(20)18-5-7-21-8-6-18/h10,13H,3-9H2,1-2H3
InChIKeyQBXVHTRAPBVVQS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.78
Rot. Bonds2

About [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 165434655) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID165434655
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ncnc(N2CCC(C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C15H22N4O2/c1-11-12(2)16-10-17-14(11)19-4-3-13(9-19)15(20)18-5-7-21-8-6-18/h10,13H,3-9H2,1-2H3
InChIKeyQBXVHTRAPBVVQS-UHFFFAOYSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 72940576
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163351886
morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346412
[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346410
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013
[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 97018091
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
CID 165434652
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 165434655) is [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is Cc1ncnc(N2CCC(C(=O)N3CCOCC3)C2)c1C.
What is the InChIKey of [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QBXVHTRAPBVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-12(2)16-10-17-14(11)19-4-3-13(9-19)15(20)18-5-7-21-8-6-18/h10,13H,3-9H2,1-2H3.
What are the key properties of [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165434655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).