6-methylidene-2-propan-2-yl-1H-pyrimidine

C8H12N2 — CID 58222476

IUPAC6-methylidene-2-propan-2-yl-1H-pyrimidine
SMILESC=C1C=CN=C(C(C)C)N1
InChIInChI=1S/C8H12N2/c1-6(2)8-9-5-4-7(3)10-8/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyNPNLMYVIAZFAQT-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.67
Rot. Bonds1

About 6-methylidene-2-propan-2-yl-1H-pyrimidine

6-methylidene-2-propan-2-yl-1H-pyrimidine (PubChem CID 58222476) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-methylidene-2-propan-2-yl-1H-pyrimidine.

Molecular Properties

Compound Name6-methylidene-2-propan-2-yl-1H-pyrimidine
PubChem CID58222476
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-methylidene-2-propan-2-yl-1H-pyrimidine
SMILESC=C1C=CN=C(C(C)C)N1
InChIInChI=1S/C8H12N2/c1-6(2)8-9-5-4-7(3)10-8/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyNPNLMYVIAZFAQT-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-propan-2-yl-1H-pyrimidine?
The IUPAC name of 6-methylidene-2-propan-2-yl-1H-pyrimidine (CID 58222476) is 6-methylidene-2-propan-2-yl-1H-pyrimidine.
What is the SMILES notation for 6-methylidene-2-propan-2-yl-1H-pyrimidine?
The canonical SMILES for 6-methylidene-2-propan-2-yl-1H-pyrimidine is C=C1C=CN=C(C(C)C)N1.
What is the InChIKey of 6-methylidene-2-propan-2-yl-1H-pyrimidine?
The InChIKey is NPNLMYVIAZFAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)8-9-5-4-7(3)10-8/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of 6-methylidene-2-propan-2-yl-1H-pyrimidine?
6-methylidene-2-propan-2-yl-1H-pyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-propan-2-yl-1H-pyrimidine is sourced from PubChem (CID 58222476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).