1,2-diethyl-4H-pyrimidine

C8H14N2 — CID 90757009

IUPAC1,2-diethyl-4H-pyrimidine
SMILESCCC1=NCC=CN1CC
InChIInChI=1S/C8H14N2/c1-3-8-9-6-5-7-10(8)4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyQBNAFGLFNSSXRK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds2

About 1,2-diethyl-4H-pyrimidine

1,2-diethyl-4H-pyrimidine (PubChem CID 90757009) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2-diethyl-4H-pyrimidine.

Molecular Properties

Compound Name1,2-diethyl-4H-pyrimidine
PubChem CID90757009
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2-diethyl-4H-pyrimidine
SMILESCCC1=NCC=CN1CC
InChIInChI=1S/C8H14N2/c1-3-8-9-6-5-7-10(8)4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyQBNAFGLFNSSXRK-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2,6,7,8-Tetrahydropyrrolo[1,2-a]pyrimidine
CID 19076061
1,3-diethyl-4H-pyrimidin-3-ium
CID 23148547
1,3-dipropyl-4H-pyrimidin-3-ium
CID 23148585
2-Ethyl-1-methyl-1,4-dihydropyrimidine
CID 45087198
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
3-(3-methyl-4H-pyrimidin-2-yl)propan-1-amine
CID 54100951
Pyrantel Embonate Impurity I
CID 54555363
4,6,7,8-Tetrahydropyrrolo[1,2-a]pyrimidine
CID 57907548
2,3-ditert-butyl-4H-pyrimidine
CID 58299778
1,2-ditert-butyl-4H-pyrimidine
CID 58300138
1,2-dimethyl-4H-pyrimidine
CID 58417989
2,3,4-trimethyl-4H-pyrimidine
CID 59881778

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4H-pyrimidine?
The IUPAC name of 1,2-diethyl-4H-pyrimidine (CID 90757009) is 1,2-diethyl-4H-pyrimidine.
What is the SMILES notation for 1,2-diethyl-4H-pyrimidine?
The canonical SMILES for 1,2-diethyl-4H-pyrimidine is CCC1=NCC=CN1CC.
What is the InChIKey of 1,2-diethyl-4H-pyrimidine?
The InChIKey is QBNAFGLFNSSXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8-9-6-5-7-10(8)4-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1,2-diethyl-4H-pyrimidine?
1,2-diethyl-4H-pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4H-pyrimidine is sourced from PubChem (CID 90757009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).