6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine

C12H16N6 — CID 80772345

IUPAC6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2ccncc2)nc(N)n1
InChIInChI=1S/C12H16N6/c1-2-15-10-7-11(18-12(13)17-10)16-8-9-3-5-14-6-4-9/h3-7H,2,8H2,1H3,(H4,13,15,16,17,18)
InChIKeyASCZIUQZTKTJCA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.50
Rot. Bonds5

About 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 80772345) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID80772345
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2ccncc2)nc(N)n1
InChIInChI=1S/C12H16N6/c1-2-15-10-7-11(18-12(13)17-10)16-8-9-3-5-14-6-4-9/h3-7H,2,8H2,1H3,(H4,13,15,16,17,18)
InChIKeyASCZIUQZTKTJCA-UHFFFAOYSA-N
XLogP1.50
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112868253
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine (CID 80772345) is 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine is CCNc1cc(NCc2ccncc2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is ASCZIUQZTKTJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-15-10-7-11(18-12(13)17-10)16-8-9-3-5-14-6-4-9/h3-7H,2,8H2,1H3,(H4,13,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 244.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80772345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).