N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide

C15H21N3O2 — CID 84592973

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide
SMILESCc1ccnc(C(NC(=O)C2CCC(C)O2)C2CC2)n1
InChIInChI=1S/C15H21N3O2/c1-9-7-8-16-14(17-9)13(11-4-5-11)18-15(19)12-6-3-10(2)20-12/h7-8,10-13H,3-6H2,1-2H3,(H,18,19)
InChIKeyYTDUQHLEIUYYGJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide (PubChem CID 84592973) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide
PubChem CID84592973
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide
SMILESCc1ccnc(C(NC(=O)C2CCC(C)O2)C2CC2)n1
InChIInChI=1S/C15H21N3O2/c1-9-7-8-16-14(17-9)13(11-4-5-11)18-15(19)12-6-3-10(2)20-12/h7-8,10-13H,3-6H2,1-2H3,(H,18,19)
InChIKeyYTDUQHLEIUYYGJ-UHFFFAOYSA-N
XLogP1.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide (CID 84592973) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide is Cc1ccnc(C(NC(=O)C2CCC(C)O2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is YTDUQHLEIUYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-8-16-14(17-9)13(11-4-5-11)18-15(19)12-6-3-10(2)20-12/h7-8,10-13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 84592973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).