6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine

C15H27N5 — CID 80934977

IUPAC6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2CN(C)C)nc(CC)n1
InChIInChI=1S/C15H27N5/c1-5-13-17-14(16-6-2)10-15(18-13)20-9-7-8-12(20)11-19(3)4/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyGYDVYMRWGGESHW-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.00
Rot. Bonds6

About 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine

6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine (PubChem CID 80934977) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
PubChem CID80934977
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2CN(C)C)nc(CC)n1
InChIInChI=1S/C15H27N5/c1-5-13-17-14(16-6-2)10-15(18-13)20-9-7-8-12(20)11-19(3)4/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyGYDVYMRWGGESHW-UHFFFAOYSA-N
XLogP2.00
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
6-(2,5-dimethylpiperidin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80942396
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
CID 80825609
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine (CID 80934977) is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine is CCNc1cc(N2CCCC2CN(C)C)nc(CC)n1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine?
The InChIKey is GYDVYMRWGGESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-13-17-14(16-6-2)10-15(18-13)20-9-7-8-12(20)11-19(3)4/h10,12H,5-9,11H2,1-4H3,(H,16,17,18).
What are the key properties of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine?
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80934977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).