1-butyl-2H-pyrimidine

C8H14N2 — CID 57321656

IUPAC1-butyl-2H-pyrimidine
SMILESCCCCN1C=CC=NC1
InChIInChI=1S/C8H14N2/c1-2-3-6-10-7-4-5-9-8-10/h4-5,7H,2-3,6,8H2,1H3
InChIKeySIBARTIUXZXBSH-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds3

About 1-butyl-2H-pyrimidine

1-butyl-2H-pyrimidine (PubChem CID 57321656) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-butyl-2H-pyrimidine.

Molecular Properties

Compound Name1-butyl-2H-pyrimidine
PubChem CID57321656
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-butyl-2H-pyrimidine
SMILESCCCCN1C=CC=NC1
InChIInChI=1S/C8H14N2/c1-2-3-6-10-7-4-5-9-8-10/h4-5,7H,2-3,6,8H2,1H3
InChIKeySIBARTIUXZXBSH-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyrimidine?
The IUPAC name of 1-butyl-2H-pyrimidine (CID 57321656) is 1-butyl-2H-pyrimidine.
What is the SMILES notation for 1-butyl-2H-pyrimidine?
The canonical SMILES for 1-butyl-2H-pyrimidine is CCCCN1C=CC=NC1.
What is the InChIKey of 1-butyl-2H-pyrimidine?
The InChIKey is SIBARTIUXZXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-6-10-7-4-5-9-8-10/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 1-butyl-2H-pyrimidine?
1-butyl-2H-pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyrimidine is sourced from PubChem (CID 57321656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).