5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine

C10H16N2 — CID 163539009

IUPAC5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine
SMILESC=C(C)N1C=NC(C)=C(CC)C1
InChIInChI=1S/C10H16N2/c1-5-10-6-12(8(2)3)7-11-9(10)4/h7H,2,5-6H2,1,3-4H3
InChIKeyDZLJWPCSJWHXCE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds2

About 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine

5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine (PubChem CID 163539009) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine.

Molecular Properties

Compound Name5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine
PubChem CID163539009
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine
SMILESC=C(C)N1C=NC(C)=C(CC)C1
InChIInChI=1S/C10H16N2/c1-5-10-6-12(8(2)3)7-11-9(10)4/h7H,2,5-6H2,1,3-4H3
InChIKeyDZLJWPCSJWHXCE-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine?
The IUPAC name of 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine (CID 163539009) is 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine.
What is the SMILES notation for 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine?
The canonical SMILES for 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine is C=C(C)N1C=NC(C)=C(CC)C1.
What is the InChIKey of 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine?
The InChIKey is DZLJWPCSJWHXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-10-6-12(8(2)3)7-11-9(10)4/h7H,2,5-6H2,1,3-4H3.
What are the key properties of 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine?
5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3-prop-1-en-2-yl-4H-pyrimidine is sourced from PubChem (CID 163539009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).