N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C14H20N4O2 — CID 20863907

IUPACN-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H20N4O2/c19-13(15-10-12-4-3-7-20-12)11-8-16-14(17-9-11)18-5-1-2-6-18/h8-9,12H,1-7,10H2,(H,15,19)
InChIKeyZBKXYDIBEQZSMZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.99
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20863907) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20863907
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H20N4O2/c19-13(15-10-12-4-3-7-20-12)11-8-16-14(17-9-11)18-5-1-2-6-18/h8-9,12H,1-7,10H2,(H,15,19)
InChIKeyZBKXYDIBEQZSMZ-UHFFFAOYSA-N
XLogP0.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20863907) is N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZBKXYDIBEQZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(15-10-12-4-3-7-20-12)11-8-16-14(17-9-11)18-5-1-2-6-18/h8-9,12H,1-7,10H2,(H,15,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20863907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).