3-butyl-4H-pyrimidine

C8H14N2 — CID 67365350

IUPAC3-butyl-4H-pyrimidine
SMILESCCCCN1C=NC=CC1
InChIInChI=1S/C8H14N2/c1-2-3-6-10-7-4-5-9-8-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIEORCLYZZXWKMU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds3

About 3-butyl-4H-pyrimidine

3-butyl-4H-pyrimidine (PubChem CID 67365350) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-butyl-4H-pyrimidine.

Molecular Properties

Compound Name3-butyl-4H-pyrimidine
PubChem CID67365350
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-butyl-4H-pyrimidine
SMILESCCCCN1C=NC=CC1
InChIInChI=1S/C8H14N2/c1-2-3-6-10-7-4-5-9-8-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIEORCLYZZXWKMU-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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Related Compounds

3-Methyl-3,4-dihydropyrimidine
CID 19788969
1-methyl-4H-pyrimidine
CID 19759614
3-propan-2-yl-4H-pyrimidine
CID 20641795
3-prop-2-enyl-4H-pyrimidine
CID 22448489
1-Methyl-1-prop-2-enylimidazol-1-ium
CID 23042760
1,3-diethyl-4H-pyrimidin-3-ium
CID 23148547
1,3-dihexyl-4H-pyrimidin-3-ium
CID 23148555
3-ethyl-1-methyl-4H-pyrimidin-3-ium
CID 23148574
1,3-dipropyl-4H-pyrimidin-3-ium
CID 23148585
1,1-Bis(prop-2-enyl)imidazol-1-ium bromide
CID 23154598
1,1-Bis(prop-2-enyl)imidazol-1-ium
CID 23154599
3,3-dimethyl-4H-pyrimidin-3-ium
CID 53636451

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4H-pyrimidine?
The IUPAC name of 3-butyl-4H-pyrimidine (CID 67365350) is 3-butyl-4H-pyrimidine.
What is the SMILES notation for 3-butyl-4H-pyrimidine?
The canonical SMILES for 3-butyl-4H-pyrimidine is CCCCN1C=NC=CC1.
What is the InChIKey of 3-butyl-4H-pyrimidine?
The InChIKey is IEORCLYZZXWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-6-10-7-4-5-9-8-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 3-butyl-4H-pyrimidine?
3-butyl-4H-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 3-butyl-4H-pyrimidine is sourced from PubChem (CID 67365350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).