6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine

C13H23N5 — CID 80831792

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(N(C)C)C2)ncn1
InChIInChI=1S/C13H23N5/c1-4-6-14-12-8-13(16-10-15-12)18-7-5-11(9-18)17(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyJGUBCGWTLNEWFP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds5

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine (PubChem CID 80831792) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
PubChem CID80831792
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(N(C)C)C2)ncn1
InChIInChI=1S/C13H23N5/c1-4-6-14-12-8-13(16-10-15-12)18-7-5-11(9-18)17(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyJGUBCGWTLNEWFP-UHFFFAOYSA-N
XLogP1.44
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80958989
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
N,N-dimethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188576
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53188596
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine (CID 80831792) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCC(N(C)C)C2)ncn1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
The InChIKey is JGUBCGWTLNEWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-6-14-12-8-13(16-10-15-12)18-7-5-11(9-18)17(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80831792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).