5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine

C14H17BrN4 — CID 66304809

IUPAC5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccnc1-c1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C14H17BrN4/c1-8-6-5-7-17-10(8)13-18-11(14(2,3)4)9(15)12(16)19-13/h5-7H,1-4H3,(H2,16,18,19)
InChIKeyQNSKBSZLXGILOP-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.49
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 66304809) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID66304809
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccnc1-c1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C14H17BrN4/c1-8-6-5-7-17-10(8)13-18-11(14(2,3)4)9(15)12(16)19-13/h5-7H,1-4H3,(H2,16,18,19)
InChIKeyQNSKBSZLXGILOP-UHFFFAOYSA-N
XLogP3.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine (CID 66304809) is 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1cccnc1-c1nc(N)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is QNSKBSZLXGILOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-8-6-5-7-17-10(8)13-18-11(14(2,3)4)9(15)12(16)19-13/h5-7H,1-4H3,(H2,16,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 66304809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).