4,5,6-trimethyl-2-pyridin-3-ylpyrimidine

C12H13N3 — CID 157011344

IUPAC4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(C)c1C
InChIInChI=1S/C12H13N3/c1-8-9(2)14-12(15-10(8)3)11-5-4-6-13-7-11/h4-7H,1-3H3
InChIKeyKKBOTCMPROXAHX-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.46
Rot. Bonds1

About 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine

4,5,6-trimethyl-2-pyridin-3-ylpyrimidine (PubChem CID 157011344) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
PubChem CID157011344
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(C)c1C
InChIInChI=1S/C12H13N3/c1-8-9(2)14-12(15-10(8)3)11-5-4-6-13-7-11/h4-7H,1-3H3
InChIKeyKKBOTCMPROXAHX-UHFFFAOYSA-N
XLogP2.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine (CID 157011344) is 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine is Cc1nc(-c2cccnc2)nc(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine?
The InChIKey is KKBOTCMPROXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-8-9(2)14-12(15-10(8)3)11-5-4-6-13-7-11/h4-7H,1-3H3.
What are the key properties of 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine?
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine has a molecular weight of 199.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 157011344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).