N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide

C17H24N4O3 — CID 91626451

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C3CCC(=O)N3)CC2)n1
InChIInChI=1S/C17H24N4O3/c1-10-9-11(2)19-17(18-10)24-13-5-3-12(4-6-13)20-16(23)14-7-8-15(22)21-14/h9,12-14H,3-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDFIJZILGJWTXLN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.18
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91626451) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91626451
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C3CCC(=O)N3)CC2)n1
InChIInChI=1S/C17H24N4O3/c1-10-9-11(2)19-17(18-10)24-13-5-3-12(4-6-13)20-16(23)14-7-8-15(22)21-14/h9,12-14H,3-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDFIJZILGJWTXLN-UHFFFAOYSA-N
XLogP1.18
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide (CID 91626451) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)C3CCC(=O)N3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DFIJZILGJWTXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10-9-11(2)19-17(18-10)24-13-5-3-12(4-6-13)20-16(23)14-7-8-15(22)21-14/h9,12-14H,3-8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91626451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).