ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine

C14H25N3 — CID 170581392

IUPACethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC.CC1CCN(c2nccc(C(C)C)n2)C1
InChIInChI=1S/C12H19N3.C2H6/c1-9(2)11-4-6-13-12(14-11)15-7-5-10(3)8-15;1-2/h4,6,9-10H,5,7-8H2,1-3H3;1-2H3
InChIKeyNZBJCAOQUAPRGT-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.47
Rot. Bonds2

About ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine

ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine (PubChem CID 170581392) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
PubChem CID170581392
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Nameethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC.CC1CCN(c2nccc(C(C)C)n2)C1
InChIInChI=1S/C12H19N3.C2H6/c1-9(2)11-4-6-13-12(14-11)15-7-5-10(3)8-15;1-2/h4,6,9-10H,5,7-8H2,1-3H3;1-2H3
InChIKeyNZBJCAOQUAPRGT-UHFFFAOYSA-N
XLogP3.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine 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

2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 123528373
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 97187203
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine
CID 170175303
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
4-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 67632902
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 136531944

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine (CID 170581392) is ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine is CC.CC1CCN(c2nccc(C(C)C)n2)C1.
What is the InChIKey of ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
The InChIKey is NZBJCAOQUAPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C2H6/c1-9(2)11-4-6-13-12(14-11)15-7-5-10(3)8-15;1-2/h4,6,9-10H,5,7-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine has a molecular weight of 235.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 170581392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).