4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine

C11H19N5 — CID 80824837

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN(C)CC1CCCN1c1ccnc(N)n1
InChIInChI=1S/C11H19N5/c1-15(2)8-9-4-3-7-16(9)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyAQUZGRYMDDBMAP-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.59
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 80824837) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID80824837
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN(C)CC1CCCN1c1ccnc(N)n1
InChIInChI=1S/C11H19N5/c1-15(2)8-9-4-3-7-16(9)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyAQUZGRYMDDBMAP-UHFFFAOYSA-N
XLogP0.59
TPSA58.28 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrazin-2-amine
CID 80653400
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine
CID 80824832
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethoxypyridin-3-amine
CID 62885391
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
2-[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanamine
CID 80634931
1-[1-[4-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888014
4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64831296
1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 107082892
1-[1-(1H-imidazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 130979094
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine (CID 80824837) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine is CN(C)CC1CCCN1c1ccnc(N)n1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is AQUZGRYMDDBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15(2)8-9-4-3-7-16(9)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.59, 3 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]pyrimidin-2-amine is sourced from PubChem (CID 80824837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).