2-propan-2-yl-5-pyrimidin-2-ylpyrazine

C11H12N4 — CID 58142779

IUPAC2-propan-2-yl-5-pyrimidin-2-ylpyrazine
SMILESCC(C)c1cnc(-c2ncccn2)cn1
InChIInChI=1S/C11H12N4/c1-8(2)9-6-15-10(7-14-9)11-12-4-3-5-13-11/h3-8H,1-2H3
InChIKeyRCRAKENZKVCPFO-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.06
Rot. Bonds2

About 2-propan-2-yl-5-pyrimidin-2-ylpyrazine

2-propan-2-yl-5-pyrimidin-2-ylpyrazine (PubChem CID 58142779) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-propan-2-yl-5-pyrimidin-2-ylpyrazine.

Molecular Properties

Compound Name2-propan-2-yl-5-pyrimidin-2-ylpyrazine
PubChem CID58142779
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-propan-2-yl-5-pyrimidin-2-ylpyrazine
SMILESCC(C)c1cnc(-c2ncccn2)cn1
InChIInChI=1S/C11H12N4/c1-8(2)9-6-15-10(7-14-9)11-12-4-3-5-13-11/h3-8H,1-2H3
InChIKeyRCRAKENZKVCPFO-UHFFFAOYSA-N
XLogP2.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-pyrimidin-2-ylpyrazine?
The IUPAC name of 2-propan-2-yl-5-pyrimidin-2-ylpyrazine (CID 58142779) is 2-propan-2-yl-5-pyrimidin-2-ylpyrazine.
What is the SMILES notation for 2-propan-2-yl-5-pyrimidin-2-ylpyrazine?
The canonical SMILES for 2-propan-2-yl-5-pyrimidin-2-ylpyrazine is CC(C)c1cnc(-c2ncccn2)cn1.
What is the InChIKey of 2-propan-2-yl-5-pyrimidin-2-ylpyrazine?
The InChIKey is RCRAKENZKVCPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8(2)9-6-15-10(7-14-9)11-12-4-3-5-13-11/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-5-pyrimidin-2-ylpyrazine?
2-propan-2-yl-5-pyrimidin-2-ylpyrazine has a molecular weight of 200.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-pyrimidin-2-ylpyrazine is sourced from PubChem (CID 58142779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).