4-ethyl-3,6-dimethyl-4H-pyrimidine

C8H14N2 — CID 144625256

IUPAC4-ethyl-3,6-dimethyl-4H-pyrimidine
SMILESCCC1C=C(C)N=CN1C
InChIInChI=1S/C8H14N2/c1-4-8-5-7(2)9-6-10(8)3/h5-6,8H,4H2,1-3H3
InChIKeyZIWWJFHQWSKPNE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds1

About 4-ethyl-3,6-dimethyl-4H-pyrimidine

4-ethyl-3,6-dimethyl-4H-pyrimidine (PubChem CID 144625256) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethyl-3,6-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name4-ethyl-3,6-dimethyl-4H-pyrimidine
PubChem CID144625256
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-ethyl-3,6-dimethyl-4H-pyrimidine
SMILESCCC1C=C(C)N=CN1C
InChIInChI=1S/C8H14N2/c1-4-8-5-7(2)9-6-10(8)3/h5-6,8H,4H2,1-3H3
InChIKeyZIWWJFHQWSKPNE-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine
CID 144939804
3-ethyl-6-propyl-4H-pyrimidine
CID 53815368
4,6-dimethyl-3-sulfanyl-4H-pyrimidine
CID 54177417
2,3,4,6-tetramethyl-4H-pyrimidine
CID 57268687
4-ethyl-3-methyl-4H-pyrimidine
CID 89750424
1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
3,4,6-trimethyl-4H-pyrimidine
CID 122691160
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
3-Methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
CID 123552098
3,4-dimethyl-5,8-dihydro-4H-1,3-diazocine
CID 123941212
(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole
CID 134476232
3,4-diethyl-4H-pyrimidine
CID 137444867

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,6-dimethyl-4H-pyrimidine?
The IUPAC name of 4-ethyl-3,6-dimethyl-4H-pyrimidine (CID 144625256) is 4-ethyl-3,6-dimethyl-4H-pyrimidine.
What is the SMILES notation for 4-ethyl-3,6-dimethyl-4H-pyrimidine?
The canonical SMILES for 4-ethyl-3,6-dimethyl-4H-pyrimidine is CCC1C=C(C)N=CN1C.
What is the InChIKey of 4-ethyl-3,6-dimethyl-4H-pyrimidine?
The InChIKey is ZIWWJFHQWSKPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8-5-7(2)9-6-10(8)3/h5-6,8H,4H2,1-3H3.
What are the key properties of 4-ethyl-3,6-dimethyl-4H-pyrimidine?
4-ethyl-3,6-dimethyl-4H-pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,6-dimethyl-4H-pyrimidine is sourced from PubChem (CID 144625256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).