4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine

C10H16N2 — CID 155419584

IUPAC4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
SMILESC=C1NC=NC(CC)=C1C(C)C
InChIInChI=1S/C10H16N2/c1-5-9-10(7(2)3)8(4)11-6-12-9/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyUDHDHCUZRIHCIF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.45
Rot. Bonds2

About 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine

4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine (PubChem CID 155419584) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
PubChem CID155419584
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
SMILESC=C1NC=NC(CC)=C1C(C)C
InChIInChI=1S/C10H16N2/c1-5-9-10(7(2)3)8(4)11-6-12-9/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyUDHDHCUZRIHCIF-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
The IUPAC name of 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine (CID 155419584) is 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine.
What is the SMILES notation for 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
The canonical SMILES for 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine is C=C1NC=NC(CC)=C1C(C)C.
What is the InChIKey of 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
The InChIKey is UDHDHCUZRIHCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9-10(7(2)3)8(4)11-6-12-9/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine is sourced from PubChem (CID 155419584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).