4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine

C11H14N6 — CID 80791747

IUPAC4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(NCCc2cccnc2)nc(N)n1
InChIInChI=1S/C11H14N6/c12-9-6-10(17-11(13)16-9)15-5-3-8-2-1-4-14-7-8/h1-2,4,6-7H,3,5H2,(H5,12,13,15,16,17)
InChIKeyIAGJQSVCCFCVNL-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.69
Rot. Bonds4

About 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine

4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine (PubChem CID 80791747) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
PubChem CID80791747
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(NCCc2cccnc2)nc(N)n1
InChIInChI=1S/C11H14N6/c12-9-6-10(17-11(13)16-9)15-5-3-8-2-1-4-14-7-8/h1-2,4,6-7H,3,5H2,(H5,12,13,15,16,17)
InChIKeyIAGJQSVCCFCVNL-UHFFFAOYSA-N
XLogP0.69
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
6-ethoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60896057
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine (CID 80791747) is 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine is Nc1cc(NCCc2cccnc2)nc(N)n1.
What is the InChIKey of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is IAGJQSVCCFCVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-9-6-10(17-11(13)16-9)15-5-3-8-2-1-4-14-7-8/h1-2,4,6-7H,3,5H2,(H5,12,13,15,16,17).
What are the key properties of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine?
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 230.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).