4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine

C13H15N3 — CID 130210346

IUPAC4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
SMILESCc1nc(-c2ccncc2)ncc1C(C)C
InChIInChI=1S/C13H15N3/c1-9(2)12-8-15-13(16-10(12)3)11-4-6-14-7-5-11/h4-9H,1-3H3
InChIKeyPYVGYXATEXVJBV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.97
Rot. Bonds2

About 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine

4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine (PubChem CID 130210346) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
PubChem CID130210346
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
SMILESCc1nc(-c2ccncc2)ncc1C(C)C
InChIInChI=1S/C13H15N3/c1-9(2)12-8-15-13(16-10(12)3)11-4-6-14-7-5-11/h4-9H,1-3H3
InChIKeyPYVGYXATEXVJBV-UHFFFAOYSA-N
XLogP2.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine (CID 130210346) is 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine is Cc1nc(-c2ccncc2)ncc1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is PYVGYXATEXVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9(2)12-8-15-13(16-10(12)3)11-4-6-14-7-5-11/h4-9H,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine?
4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 213.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 130210346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).