6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine

C14H26N6 — CID 80819636

IUPAC6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC(C)N2CCCCC2)nc(N)n1
InChIInChI=1S/C14H26N6/c1-3-16-12-9-13(19-14(15)18-12)17-10-11(2)20-7-5-4-6-8-20/h9,11H,3-8,10H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyMDYMOMHZDIPAQA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds6

About 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 80819636) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
PubChem CID80819636
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC(C)N2CCCCC2)nc(N)n1
InChIInChI=1S/C14H26N6/c1-3-16-12-9-13(19-14(15)18-12)17-10-11(2)20-7-5-4-6-8-20/h9,11H,3-8,10H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyMDYMOMHZDIPAQA-UHFFFAOYSA-N
XLogP1.78
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
CID 113367725
6-(ethylamino)-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 62239679
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine (CID 80819636) is 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine is CCNc1cc(NCC(C)N2CCCCC2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is MDYMOMHZDIPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-3-16-12-9-13(19-14(15)18-12)17-10-11(2)20-7-5-4-6-8-20/h9,11H,3-8,10H2,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 278.40 g/mol, XLogP of 1.78, 6 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-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80819636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).