2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

C17H27N5O2 — CID 110113847

IUPAC2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(N(C)C)nc(C2COCCN2CC(=O)N2CCCC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-10-15(20(2)3)19-17(18-13)14-12-24-9-8-22(14)11-16(23)21-6-4-5-7-21/h10,14H,4-9,11-12H2,1-3H3
InChIKeyNMRLYSBSGSTAOX-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.85
Rot. Bonds4

About 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 110113847) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID110113847
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(N(C)C)nc(C2COCCN2CC(=O)N2CCCC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-10-15(20(2)3)19-17(18-13)14-12-24-9-8-22(14)11-16(23)21-6-4-5-7-21/h10,14H,4-9,11-12H2,1-3H3
InChIKeyNMRLYSBSGSTAOX-UHFFFAOYSA-N
XLogP0.85
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone (CID 110113847) is 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone is Cc1cc(N(C)C)nc(C2COCCN2CC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NMRLYSBSGSTAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-10-15(20(2)3)19-17(18-13)14-12-24-9-8-22(14)11-16(23)21-6-4-5-7-21/h10,14H,4-9,11-12H2,1-3H3.
What are the key properties of 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 333.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110113847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).