4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine

C11H13N3 — CID 169266668

IUPAC4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESC#Cc1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C11H13N3/c1-3-10-8-9(2)12-11(13-10)14-6-4-5-7-14/h1,8H,4-7H2,2H3
InChIKeyGDVJIUNUELSSEQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.37
Rot. Bonds1

About 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine

4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 169266668) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID169266668
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESC#Cc1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C11H13N3/c1-3-10-8-9(2)12-11(13-10)14-6-4-5-7-14/h1,8H,4-7H2,2H3
InChIKeyGDVJIUNUELSSEQ-UHFFFAOYSA-N
XLogP1.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
2-[3-(difluoromethyl)pyrrolidin-1-yl]-4-ethynyl-6-methylpyrimidine
CID 169266309
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
4-(2,5-dihydropyrrol-1-yl)-6-methyl-2-piperidin-1-ylpyrimidine
CID 134700618
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909479
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
CID 107548775
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 122478866
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 169266668) is 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine is C#Cc1cc(C)nc(N2CCCC2)n1.
What is the InChIKey of 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is GDVJIUNUELSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-10-8-9(2)12-11(13-10)14-6-4-5-7-14/h1,8H,4-7H2,2H3.
What are the key properties of 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 187.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 169266668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).