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

C13H23N5 — CID 80825077

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C13H23N5/c1-10-8-12(16-13(14-2)15-10)18-7-5-6-11(18)9-17(3)4/h8,11H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyLBTBHCYJZKBUIK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.36
Rot. Bonds4

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

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 80825077) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
PubChem CID80825077
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C13H23N5/c1-10-8-12(16-13(14-2)15-10)18-7-5-6-11(18)9-17(3)4/h8,11H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyLBTBHCYJZKBUIK-UHFFFAOYSA-N
XLogP1.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114567195
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889389
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114220038
3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
CID 102758009
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 62890033
2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076830
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine (CID 80825077) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(N2CCCC2CN(C)C)n1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is LBTBHCYJZKBUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-8-12(16-13(14-2)15-10)18-7-5-6-11(18)9-17(3)4/h8,11H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80825077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).