N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide

C14H19N3O2 — CID 121120077

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)C1CCC1
InChIInChI=1S/C14H19N3O2/c18-13-8-12(10-4-5-10)16-9-17(13)7-6-15-14(19)11-2-1-3-11/h8-11H,1-7H2,(H,15,19)
InChIKeyBSLLPATZSGHVOW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide (PubChem CID 121120077) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
PubChem CID121120077
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)C1CCC1
InChIInChI=1S/C14H19N3O2/c18-13-8-12(10-4-5-10)16-9-17(13)7-6-15-14(19)11-2-1-3-11/h8-11H,1-7H2,(H,15,19)
InChIKeyBSLLPATZSGHVOW-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide (CID 121120077) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide is O=C(NCCn1cnc(C2CC2)cc1=O)C1CCC1.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is BSLLPATZSGHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-8-12(10-4-5-10)16-9-17(13)7-6-15-14(19)11-2-1-3-11/h8-11H,1-7H2,(H,15,19).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 121120077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).