1-methyl-2-methylidene-4-propan-2-ylpyrimidine

C9H14N2 — CID 90906288

IUPAC1-methyl-2-methylidene-4-propan-2-ylpyrimidine
SMILESC=C1N=C(C(C)C)C=CN1C
InChIInChI=1S/C9H14N2/c1-7(2)9-5-6-11(4)8(3)10-9/h5-7H,3H2,1-2,4H3
InChIKeyXTTVQRYNOZFOTG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds1

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

1-methyl-2-methylidene-4-propan-2-ylpyrimidine (PubChem CID 90906288) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-propan-2-ylpyrimidine
PubChem CID90906288
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-methyl-2-methylidene-4-propan-2-ylpyrimidine
SMILESC=C1N=C(C(C)C)C=CN1C
InChIInChI=1S/C9H14N2/c1-7(2)9-5-6-11(4)8(3)10-9/h5-7H,3H2,1-2,4H3
InChIKeyXTTVQRYNOZFOTG-UHFFFAOYSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-propan-2-ylpyrimidine?
The IUPAC name of 1-methyl-2-methylidene-4-propan-2-ylpyrimidine (CID 90906288) is 1-methyl-2-methylidene-4-propan-2-ylpyrimidine.
What is the SMILES notation for 1-methyl-2-methylidene-4-propan-2-ylpyrimidine?
The canonical SMILES for 1-methyl-2-methylidene-4-propan-2-ylpyrimidine is C=C1N=C(C(C)C)C=CN1C.
What is the InChIKey of 1-methyl-2-methylidene-4-propan-2-ylpyrimidine?
The InChIKey is XTTVQRYNOZFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-5-6-11(4)8(3)10-9/h5-7H,3H2,1-2,4H3.
What are the key properties of 1-methyl-2-methylidene-4-propan-2-ylpyrimidine?
1-methyl-2-methylidene-4-propan-2-ylpyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-propan-2-ylpyrimidine is sourced from PubChem (CID 90906288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).