N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine

C14H14BrN5O — CID 11739521

IUPACN-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine
SMILESCC(C)(C)c1conc1Nc1ncnc2cc(Br)cnc12
InChIInChI=1S/C14H14BrN5O/c1-14(2,3)9-6-21-20-12(9)19-13-11-10(17-7-18-13)4-8(15)5-16-11/h4-7H,1-3H3,(H,17,18,19,20)
InChIKeyWPDPAZXADPGWEJ-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.82
Rot. Bonds2

About N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine

N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine (PubChem CID 11739521) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine
PubChem CID11739521
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC NameN-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine
SMILESCC(C)(C)c1conc1Nc1ncnc2cc(Br)cnc12
InChIInChI=1S/C14H14BrN5O/c1-14(2,3)9-6-21-20-12(9)19-13-11-10(17-7-18-13)4-8(15)5-16-11/h4-7H,1-3H3,(H,17,18,19,20)
InChIKeyWPDPAZXADPGWEJ-UHFFFAOYSA-N
XLogP3.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine?
The IUPAC name of N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine (CID 11739521) is N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine?
The canonical SMILES for N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine is CC(C)(C)c1conc1Nc1ncnc2cc(Br)cnc12.
What is the InChIKey of N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine?
The InChIKey is WPDPAZXADPGWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-14(2,3)9-6-21-20-12(9)19-13-11-10(17-7-18-13)4-8(15)5-16-11/h4-7H,1-3H3,(H,17,18,19,20).
What are the key properties of N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine?
N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine has a molecular weight of 348.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine is sourced from PubChem (CID 11739521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).