1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine

C15H25ClN4 — CID 80951646

IUPAC1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C15H25ClN4/c1-5-19(6-2)12-7-8-20(10-12)14-9-13(16)17-15(18-14)11(3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyOMXAAMGUQJPXRL-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.17
Rot. Bonds5

About 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 80951646) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
PubChem CID80951646
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C15H25ClN4/c1-5-19(6-2)12-7-8-20(10-12)14-9-13(16)17-15(18-14)11(3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyOMXAAMGUQJPXRL-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80546846
1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 55158990
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402560
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
1-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80947995
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 143313402
1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63168757

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine (CID 80951646) is 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cc(Cl)nc(C(C)C)n2)C1.
What is the InChIKey of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is OMXAAMGUQJPXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-5-19(6-2)12-7-8-20(10-12)14-9-13(16)17-15(18-14)11(3)4/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine?
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 296.85 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 80951646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).