7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine

C17H17BrN4 — CID 23537132

IUPAC7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3cc(Br)cnc23)cc1
InChIInChI=1S/C17H17BrN4/c1-17(2,3)11-4-6-13(7-5-11)22-16-15-14(20-10-21-16)8-12(18)9-19-15/h4-10H,1-3H3,(H,20,21,22)
InChIKeyXTXCRBFVBYNVQS-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.83
Rot. Bonds2

About 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine

7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 23537132) has the molecular formula C17H17BrN4 and a molecular weight of 357.26 g/mol. Its IUPAC name is 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID23537132
Molecular FormulaC17H17BrN4
Molecular Weight357.26 g/mol
Exact Mass356.06
IUPAC Name7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3cc(Br)cnc23)cc1
InChIInChI=1S/C17H17BrN4/c1-17(2,3)11-4-6-13(7-5-11)22-16-15-14(20-10-21-16)8-12(18)9-19-15/h4-10H,1-3H3,(H,20,21,22)
InChIKeyXTXCRBFVBYNVQS-UHFFFAOYSA-N
XLogP4.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 23537132) is 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine is CC(C)(C)c1ccc(Nc2ncnc3cc(Br)cnc23)cc1.
What is the InChIKey of 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is XTXCRBFVBYNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4/c1-17(2,3)11-4-6-13(7-5-11)22-16-15-14(20-10-21-16)8-12(18)9-19-15/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 357.26 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 23537132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).