2-methylidene-1-propan-2-ylpyrimidine

C8H12N2 — CID 76721750

IUPAC2-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1N=CC=CN1C(C)C
InChIInChI=1S/C8H12N2/c1-7(2)10-6-4-5-9-8(10)3/h4-7H,3H2,1-2H3
InChIKeyYKSILXJWWGFRQD-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds1

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

2-methylidene-1-propan-2-ylpyrimidine (PubChem CID 76721750) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-methylidene-1-propan-2-ylpyrimidine
PubChem CID76721750
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1N=CC=CN1C(C)C
InChIInChI=1S/C8H12N2/c1-7(2)10-6-4-5-9-8(10)3/h4-7H,3H2,1-2H3
InChIKeyYKSILXJWWGFRQD-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 2-methylidene-1-propan-2-ylpyrimidine?
The IUPAC name of 2-methylidene-1-propan-2-ylpyrimidine (CID 76721750) is 2-methylidene-1-propan-2-ylpyrimidine.
What is the SMILES notation for 2-methylidene-1-propan-2-ylpyrimidine?
The canonical SMILES for 2-methylidene-1-propan-2-ylpyrimidine is C=C1N=CC=CN1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-ylpyrimidine?
The InChIKey is YKSILXJWWGFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)10-6-4-5-9-8(10)3/h4-7H,3H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-ylpyrimidine?
2-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 2-methylidene-1-propan-2-ylpyrimidine is sourced from PubChem (CID 76721750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).