5,6-diethyl-1-propan-2-yl-2H-pyrimidine

C11H20N2 — CID 143925685

IUPAC5,6-diethyl-1-propan-2-yl-2H-pyrimidine
SMILESCCC1=C(CC)N(C(C)C)CN=C1
InChIInChI=1S/C11H20N2/c1-5-10-7-12-8-13(9(3)4)11(10)6-2/h7,9H,5-6,8H2,1-4H3
InChIKeyIDNJMZAUBNFCBK-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds3

About 5,6-diethyl-1-propan-2-yl-2H-pyrimidine

5,6-diethyl-1-propan-2-yl-2H-pyrimidine (PubChem CID 143925685) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5,6-diethyl-1-propan-2-yl-2H-pyrimidine.

Molecular Properties

Compound Name5,6-diethyl-1-propan-2-yl-2H-pyrimidine
PubChem CID143925685
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5,6-diethyl-1-propan-2-yl-2H-pyrimidine
SMILESCCC1=C(CC)N(C(C)C)CN=C1
InChIInChI=1S/C11H20N2/c1-5-10-7-12-8-13(9(3)4)11(10)6-2/h7,9H,5-6,8H2,1-4H3
InChIKeyIDNJMZAUBNFCBK-UHFFFAOYSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2,4,5,6-Hexamethylpyrimidine
CID 69907557
1,2,4,5,6-pentamethyl-2H-pyrimidine
CID 70522582
ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 142338627
N-methyl-1-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 170633891
N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 142338628
1,6-Dimethyl-2-methylidene-5-propan-2-ylpyrimidine
CID 159374338
1,2,3,4,5,6-hexamethyl-2H-pyrimidin-3-ium
CID 162287893

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1-propan-2-yl-2H-pyrimidine?
The IUPAC name of 5,6-diethyl-1-propan-2-yl-2H-pyrimidine (CID 143925685) is 5,6-diethyl-1-propan-2-yl-2H-pyrimidine.
What is the SMILES notation for 5,6-diethyl-1-propan-2-yl-2H-pyrimidine?
The canonical SMILES for 5,6-diethyl-1-propan-2-yl-2H-pyrimidine is CCC1=C(CC)N(C(C)C)CN=C1.
What is the InChIKey of 5,6-diethyl-1-propan-2-yl-2H-pyrimidine?
The InChIKey is IDNJMZAUBNFCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10-7-12-8-13(9(3)4)11(10)6-2/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 5,6-diethyl-1-propan-2-yl-2H-pyrimidine?
5,6-diethyl-1-propan-2-yl-2H-pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1-propan-2-yl-2H-pyrimidine is sourced from PubChem (CID 143925685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).