2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine

C11H11BrN4 — CID 166514077

IUPAC2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine
SMILESCCCc1ccnc(-c2cnc(Br)nc2)n1
InChIInChI=1S/C11H11BrN4/c1-2-3-9-4-5-13-10(16-9)8-6-14-11(12)15-7-8/h4-7H,2-3H2,1H3
InChIKeyKNYYPAQUVDKACN-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.65
Rot. Bonds3

About 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine

2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine (PubChem CID 166514077) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine
PubChem CID166514077
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine
SMILESCCCc1ccnc(-c2cnc(Br)nc2)n1
InChIInChI=1S/C11H11BrN4/c1-2-3-9-4-5-13-10(16-9)8-6-14-11(12)15-7-8/h4-7H,2-3H2,1H3
InChIKeyKNYYPAQUVDKACN-UHFFFAOYSA-N
XLogP2.65
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine?
The IUPAC name of 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine (CID 166514077) is 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine?
The canonical SMILES for 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine is CCCc1ccnc(-c2cnc(Br)nc2)n1.
What is the InChIKey of 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine?
The InChIKey is KNYYPAQUVDKACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-2-3-9-4-5-13-10(16-9)8-6-14-11(12)15-7-8/h4-7H,2-3H2,1H3.
What are the key properties of 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine?
2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine has a molecular weight of 279.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 166514077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).