2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile

C10H10BrN3O — CID 66310408

IUPAC2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cncc(Br)c2=O)CC1
InChIInChI=1S/C10H10BrN3O/c11-8-5-13-7-14(9(8)15)6-10(1-2-10)3-4-12/h5,7H,1-3,6H2
InChIKeyYSHZDBKXTGEKQS-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.70
Rot. Bonds3

About 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 66310408) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID66310408
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cncc(Br)c2=O)CC1
InChIInChI=1S/C10H10BrN3O/c11-8-5-13-7-14(9(8)15)6-10(1-2-10)3-4-12/h5,7H,1-3,6H2
InChIKeyYSHZDBKXTGEKQS-UHFFFAOYSA-N
XLogP1.70
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile (CID 66310408) is 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2cncc(Br)c2=O)CC1.
What is the InChIKey of 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is YSHZDBKXTGEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-5-13-7-14(9(8)15)6-10(1-2-10)3-4-12/h5,7H,1-3,6H2.
What are the key properties of 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 268.11 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66310408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).