4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine

C11H19N5 — CID 80827872

IUPAC4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C11H19N5/c1-12-11-13-6-4-10(14-11)16-7-5-9(8-16)15(2)3/h4,6,9H,5,7-8H2,1-3H3,(H,12,13,14)
InChIKeyBCPUSCYTNJXQQZ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.66
Rot. Bonds3

About 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine

4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine (PubChem CID 80827872) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
PubChem CID80827872
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C11H19N5/c1-12-11-13-6-4-10(14-11)16-7-5-9(8-16)15(2)3/h4,6,9H,5,7-8H2,1-3H3,(H,12,13,14)
InChIKeyBCPUSCYTNJXQQZ-UHFFFAOYSA-N
XLogP0.66
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrazin-2-amine
CID 80831870
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine (CID 80827872) is 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine is CNc1nccc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
The InChIKey is BCPUSCYTNJXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-12-11-13-6-4-10(14-11)16-7-5-9(8-16)15(2)3/h4,6,9H,5,7-8H2,1-3H3,(H,12,13,14).
What are the key properties of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine?
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80827872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).