4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine

C11H18N2 — CID 58763093

IUPAC4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine
SMILESCC1=CC(=C(C)C)N(C(C)C)C=N1
InChIInChI=1S/C11H18N2/c1-8(2)11-6-10(5)12-7-13(11)9(3)4/h6-7,9H,1-5H3
InChIKeyCJQNHBGOBNNQPG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds1

About 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine

4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine (PubChem CID 58763093) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine
PubChem CID58763093
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine
SMILESCC1=CC(=C(C)C)N(C(C)C)C=N1
InChIInChI=1S/C11H18N2/c1-8(2)11-6-10(5)12-7-13(11)9(3)4/h6-7,9H,1-5H3
InChIKeyCJQNHBGOBNNQPG-UHFFFAOYSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium
CID 58763092
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
6-Methylidene-1-propan-2-ylpyrimidine
CID 89502128
N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
CID 123279872
N'-buta-1,3-dien-2-yl-N-methyl-N-propan-2-ylmethanimidamide
CID 135243192
ethane;N-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N'-methylmethanimidamide
CID 141974091
N-methyl-1-(2-methyl-6-methylidene-1-pyridinyl)methanimine
CID 142119106
1,6-dimethyl-4H-pyrimidine;ethane
CID 142350108
ethane;N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 143900045
N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide
CID 146351890
(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole
CID 155378082
(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole
CID 156568795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine?
The IUPAC name of 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine (CID 58763093) is 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine?
The canonical SMILES for 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine is CC1=CC(=C(C)C)N(C(C)C)C=N1.
What is the InChIKey of 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine?
The InChIKey is CJQNHBGOBNNQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)11-6-10(5)12-7-13(11)9(3)4/h6-7,9H,1-5H3.
What are the key properties of 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine?
4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine is sourced from PubChem (CID 58763093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).