N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C11H15N3O3 — CID 80717220

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1(CO)CC1
InChIInChI=1S/C11H15N3O3/c15-8-11(2-3-11)7-13-9(16)6-14-5-1-4-12-10(14)17/h1,4-5,15H,2-3,6-8H2,(H,13,16)
InChIKeyLIXQUNPKVPIKIZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.87
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 80717220) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID80717220
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1(CO)CC1
InChIInChI=1S/C11H15N3O3/c15-8-11(2-3-11)7-13-9(16)6-14-5-1-4-12-10(14)17/h1,4-5,15H,2-3,6-8H2,(H,13,16)
InChIKeyLIXQUNPKVPIKIZ-UHFFFAOYSA-N
XLogP-0.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 80717220) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is LIXQUNPKVPIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-8-11(2-3-11)7-13-9(16)6-14-5-1-4-12-10(14)17/h1,4-5,15H,2-3,6-8H2,(H,13,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 80717220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).