6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine

C15H27N5 — CID 80825609

IUPAC6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCC2CN(C)C)c1CC
InChIInChI=1S/C15H27N5/c1-5-13-14(16-6-2)17-11-18-15(13)20-9-7-8-12(20)10-19(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyVTOHUJYCOBUHPH-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.00
Rot. Bonds6

About 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine

6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine (PubChem CID 80825609) 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,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
PubChem CID80825609
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCC2CN(C)C)c1CC
InChIInChI=1S/C15H27N5/c1-5-13-14(16-6-2)17-11-18-15(13)20-9-7-8-12(20)10-19(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyVTOHUJYCOBUHPH-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

3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80827434
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
1-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 63730372
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 114072228
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80824999
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80825001
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine (CID 80825609) is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(N2CCCC2CN(C)C)c1CC.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine?
The InChIKey is VTOHUJYCOBUHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-13-14(16-6-2)17-11-18-15(13)20-9-7-8-12(20)10-19(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine?
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-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,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80825609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).