2-pyridin-4-ylpyrimidine-4,5,6-triamine

C9H10N6 — CID 13339933

IUPAC2-pyridin-4-ylpyrimidine-4,5,6-triamine
SMILESNc1nc(-c2ccncc2)nc(N)c1N
InChIInChI=1S/C9H10N6/c10-6-7(11)14-9(15-8(6)12)5-1-3-13-4-2-5/h1-4H,10H2,(H4,11,12,14,15)
InChIKeyFLNBRVKRFVZNFR-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.29
Rot. Bonds1

About 2-pyridin-4-ylpyrimidine-4,5,6-triamine

2-pyridin-4-ylpyrimidine-4,5,6-triamine (PubChem CID 13339933) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-pyridin-4-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name2-pyridin-4-ylpyrimidine-4,5,6-triamine
PubChem CID13339933
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-pyridin-4-ylpyrimidine-4,5,6-triamine
SMILESNc1nc(-c2ccncc2)nc(N)c1N
InChIInChI=1S/C9H10N6/c10-6-7(11)14-9(15-8(6)12)5-1-3-13-4-2-5/h1-4H,10H2,(H4,11,12,14,15)
InChIKeyFLNBRVKRFVZNFR-UHFFFAOYSA-N
XLogP0.29
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 2-pyridin-4-ylpyrimidine-4,5,6-triamine (CID 13339933) is 2-pyridin-4-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 2-pyridin-4-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 2-pyridin-4-ylpyrimidine-4,5,6-triamine is Nc1nc(-c2ccncc2)nc(N)c1N.
What is the InChIKey of 2-pyridin-4-ylpyrimidine-4,5,6-triamine?
The InChIKey is FLNBRVKRFVZNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-6-7(11)14-9(15-8(6)12)5-1-3-13-4-2-5/h1-4H,10H2,(H4,11,12,14,15).
What are the key properties of 2-pyridin-4-ylpyrimidine-4,5,6-triamine?
2-pyridin-4-ylpyrimidine-4,5,6-triamine has a molecular weight of 202.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 13339933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).