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

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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).