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

C9H14N2 — CID 155348835

IUPAC4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine
SMILESC=C1C=C(C)N=C(C(C)C)N1
InChIInChI=1S/C9H14N2/c1-6(2)9-10-7(3)5-8(4)11-9/h5-6H,3H2,1-2,4H3,(H,10,11)
InChIKeyRTGUTKFZBFKQRM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds1

About 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine

4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine (PubChem CID 155348835) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine.

Molecular Properties

Compound Name4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine
PubChem CID155348835
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine
SMILESC=C1C=C(C)N=C(C(C)C)N1
InChIInChI=1S/C9H14N2/c1-6(2)9-10-7(3)5-8(4)11-9/h5-6H,3H2,1-2,4H3,(H,10,11)
InChIKeyRTGUTKFZBFKQRM-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine?
The IUPAC name of 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine (CID 155348835) is 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine.
What is the SMILES notation for 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine?
The canonical SMILES for 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine is C=C1C=C(C)N=C(C(C)C)N1.
What is the InChIKey of 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine?
The InChIKey is RTGUTKFZBFKQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)9-10-7(3)5-8(4)11-9/h5-6H,3H2,1-2,4H3,(H,10,11).
What are the key properties of 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine?
4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylidene-2-propan-2-yl-1H-pyrimidine is sourced from PubChem (CID 155348835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).