4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine

C11H20N2 — CID 138714004

IUPAC4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine
SMILESCCC1C=C(C(C)C)N=C(C)N1C
InChIInChI=1S/C11H20N2/c1-6-10-7-11(8(2)3)12-9(4)13(10)5/h7-8,10H,6H2,1-5H3
InChIKeyZAOVKJJKPYVKMG-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds2

About 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine

4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine (PubChem CID 138714004) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine
PubChem CID138714004
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine
SMILESCCC1C=C(C(C)C)N=C(C)N1C
InChIInChI=1S/C11H20N2/c1-6-10-7-11(8(2)3)12-9(4)13(10)5/h7-8,10H,6H2,1-5H3
InChIKeyZAOVKJJKPYVKMG-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine?
The IUPAC name of 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine (CID 138714004) is 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine?
The canonical SMILES for 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine is CCC1C=C(C(C)C)N=C(C)N1C.
What is the InChIKey of 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine?
The InChIKey is ZAOVKJJKPYVKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-10-7-11(8(2)3)12-9(4)13(10)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine?
4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine is sourced from PubChem (CID 138714004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).