5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C14H20N6 — CID 66904370

IUPAC5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)CCc1cnc(NCc2ccncc2)nc1N
InChIInChI=1S/C14H20N6/c1-20(2)8-5-12-10-18-14(19-13(12)15)17-9-11-3-6-16-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyGBWSLGVTVONCGN-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.17
Rot. Bonds6

About 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 66904370) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID66904370
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)CCc1cnc(NCc2ccncc2)nc1N
InChIInChI=1S/C14H20N6/c1-20(2)8-5-12-10-18-14(19-13(12)15)17-9-11-3-6-16-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyGBWSLGVTVONCGN-UHFFFAOYSA-N
XLogP1.17
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Tripelennamine
CID 5587
Amprolium Hydrochloride
CID 8732
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
Amprolium
CID 73341
Msx-122
CID 11687907
1-(2-Pyridyl)piperazine
CID 94459
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Amprolium ion
CID 2178
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 66904370) is 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CN(C)CCc1cnc(NCc2ccncc2)nc1N.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GBWSLGVTVONCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-20(2)8-5-12-10-18-14(19-13(12)15)17-9-11-3-6-16-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66904370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).