4-methylidene-1-propan-2-ylpyrimidine

C8H12N2 — CID 163512787

IUPAC4-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1C=CN(C(C)C)C=N1
InChIInChI=1S/C8H12N2/c1-7(2)10-5-4-8(3)9-6-10/h4-7H,3H2,1-2H3
InChIKeyUVJVJRKXEYBCIS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds1

About 4-methylidene-1-propan-2-ylpyrimidine

4-methylidene-1-propan-2-ylpyrimidine (PubChem CID 163512787) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-methylidene-1-propan-2-ylpyrimidine
PubChem CID163512787
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1C=CN(C(C)C)C=N1
InChIInChI=1S/C8H12N2/c1-7(2)10-5-4-8(3)9-6-10/h4-7H,3H2,1-2H3
InChIKeyUVJVJRKXEYBCIS-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-propan-2-ylpyrimidine?
The IUPAC name of 4-methylidene-1-propan-2-ylpyrimidine (CID 163512787) is 4-methylidene-1-propan-2-ylpyrimidine.
What is the SMILES notation for 4-methylidene-1-propan-2-ylpyrimidine?
The canonical SMILES for 4-methylidene-1-propan-2-ylpyrimidine is C=C1C=CN(C(C)C)C=N1.
What is the InChIKey of 4-methylidene-1-propan-2-ylpyrimidine?
The InChIKey is UVJVJRKXEYBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)10-5-4-8(3)9-6-10/h4-7H,3H2,1-2H3.
What are the key properties of 4-methylidene-1-propan-2-ylpyrimidine?
4-methylidene-1-propan-2-ylpyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-ylpyrimidine is sourced from PubChem (CID 163512787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).